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EVODEX.1-P3699

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16](=[O:17])[O:18][C:19]([C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:77])[O:26][P:27](=[O:28])([O:29][H:78])[O:30][C:31]([C@@:32]1([H:79])[O:33][C@:34]([N:35]2:[C:36]([H:80]):[C:37]([H:81]):[C:38](=[N:39][H:82]):[N:40]([H:83]):[C:41]:2=[O:42])([H:84])[C@@:43]([O:44][H:85])([H:86])[C@@:45]1([O:46][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([O:47][C:48](=[O:49])[C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])([H:156])[H:157].[H][O:65][C@@:66]1([H:158])[C@@:67]([O:68][H:159])([H:160])[C@:69]([O:70][H:161])([H:162])[C@@:71]([O:72][H:163])([H:164])[C@:73]([O:74][H:165])([H:166])[C@:75]1([O:76][H:167])[H:168]>>[H][O:26][P:23]([O:22][C:21]([C@:20]([C:19]([O:18][C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:155])([H:156])[H:157])([H:153])[H:154])([H:151])[H:152])([H:149])[H:150])([H:147])[H:148])([H:145])[H:146])([H:143])[H:144])([H:141])[H:142])([H:139])[H:140])([H:137])[H:138])([H:135])[H:136])([H:133])[H:134])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])=[O:17])([H:125])[H:126])([O:47][C:48](=[O:49])[C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])([H:91])[H:92])(=[O:24])[O:25][H:77].[P:27](=[O:28])([O:29][H:78])([O:30][C:31]([C@@:32]1([H:79])[O:33][C@:34]([N:35]2:[C:36]([H:80]):[C:37]([H:81]):[C:38](=[N:39][H:82]):[N:40]([H:83]):[C:41]:2=[O:42])([H:84])[C@@:43]([O:44][H:85])([H:86])[C@@:45]1([O:46][H:87])[H:88])([H:89])[H:90])[O:65][C@:66]1([H:158])[C@:67]([O:68][H:159])([H:160])[C@@:69]([O:70][H:161])([H:162])[C@:71]([O:72][H:163])([H:164])[C@@:73]([O:74][H:165])([H:166])[C@@:75]1([O:76][H:167])[H:168]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E333 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:27]-[#8:30]-[#15:31](=[#8:32])(-[#8:33])-[#8:34].[#8:73](-[#6@@:74]1(-[H:166])-[#6@@:75](-[#8:76])(-[H:168])-[#6@:77](-[#8:78])(-[H:170])-[#6@@:79](-[#8:80])(-[H:172])-[#6@:81](-[#8:82])(-[H:174])-[#6@:83]-1(-[#8:84])-[H:176])-[H]>>[#15:27]-[#8:30]-[H].[#15:31](=[#8:32])(-[#8:33])(-[#8:34])-[#8:73]-[#6@:74]1(-[H:166])-[#6@:75](-[#8:76])(-[H:168])-[#6@@:77](-[#8:78])(-[H:170])-[#6@:79](-[#8:80])(-[H:172])-[#6@@:81](-[#8:82])(-[H:174])-[#6@@:83]-1(-[#8:84])-[H:176]

EVODEX.1-C1353 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:26]-[#15:27].[#6@@:20]).[H]-[#8:65]-[#6@:66]1-[#6@@:67]-[#6@:69]-[#6@@:71]-[#6@:73]-[#6@:75]-1>>([H]-[#8:26].[#6@:20]).[#15:27]-[#8:65]-[#6@@:66]1-[#6@:67]-[#6@@:69]-[#6@:71]-[#6@@:73]-[#6@@:75]-1

EVODEX.1-N1716 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:19]-[#6@@:20](-[#6:21])(-[#8:47])-[H:124].[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30]).[H]-[#8:65]-[#6@@:66]1(-[H:158])-[#6@@:67](-[#8:68])(-[H:160])-[#6@:69](-[#8:70])(-[H:162])-[#6@@:71](-[#8:72])(-[H:164])-[#6@:73](-[#8:74])(-[H:166])-[#6@:75]-1(-[#8:76])-[H:168]>>([H]-[#8:26]-[#15:23].[#6:21]-[#6@:20](-[#6:19])(-[#8:47])-[H:124]).[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6@:66]1(-[H:158])-[#6@:67](-[#8:68])(-[H:160])-[#6@@:69](-[#8:70])(-[H:162])-[#6@:71](-[#8:72])(-[H:164])-[#6@@:73](-[#8:74])(-[H:166])-[#6@@:75]-1(-[#8:76])-[H:168]

EVODEX.1-Em16 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm19 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

Source Full Reactions

EVODEX.1-R4518

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16](=[O:17])[O:18][C:19]([C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:77])[O:26][P:27](=[O:28])([O:29][H:78])[O:30][C:31]([C@@:32]1([H:79])[O:33][C@:34]([N:35]2:[C:36]([H:80]):[C:37]([H:81]):[C:38](=[N:39][H:82]):[N:40]([H:83]):[C:41]:2=[O:42])([H:84])[C@@:43]([O:44][H:85])([H:86])[C@@:45]1([O:46][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([O:47][C:48](=[O:49])[C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])([H:156])[H:157].[H][O:65][C@@:66]1([H:158])[C@@:67]([O:68][H:159])([H:160])[C@:69]([O:70][H:161])([H:162])[C@@:71]([O:72][H:163])([H:164])[C@:73]([O:74][H:165])([H:166])[C@:75]1([O:76][H:167])[H:168]>>[H][O:26][P:23]([O:22][C:21]([C@:20]([C:19]([O:18][C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:155])([H:156])[H:157])([H:153])[H:154])([H:151])[H:152])([H:149])[H:150])([H:147])[H:148])([H:145])[H:146])([H:143])[H:144])([H:141])[H:142])([H:139])[H:140])([H:137])[H:138])([H:135])[H:136])([H:133])[H:134])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])=[O:17])([H:125])[H:126])([O:47][C:48](=[O:49])[C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])([H:91])[H:92])(=[O:24])[O:25][H:77].[P:27](=[O:28])([O:29][H:78])([O:30][C:31]([C@@:32]1([H:79])[O:33][C@:34]([N:35]2:[C:36]([H:80]):[C:37]([H:81]):[C:38](=[N:39][H:82]):[N:40]([H:83]):[C:41]:2=[O:42])([H:84])[C@@:43]([O:44][H:85])([H:86])[C@@:45]1([O:46][H:87])[H:88])([H:89])[H:90])[O:65][C@:66]1([H:158])[C@:67]([O:68][H:159])([H:160])[C@@:69]([O:70][H:161])([H:162])[C@:71]([O:72][H:163])([H:164])[C@@:73]([O:74][H:165])([H:166])[C@@:75]1([O:76][H:167])[H:168]