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EVODEX.1-P2659

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:56])([H:57])[H:58])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:59])([H:60])[H:61])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:62])[O:20][P:21](=[O:22])([O:23][H:63])[O:24][H:64])([H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77])([H:78])([H:79])[H:80].[H][S:46][C:45]([C@@:43]([C:41]([N:40]([C@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:110])([H:111])[H:112])([C:27]([H:81])([H:82])[H:83])[H:109])([H:107])[H:108])([C:50](=[O:51])[O:52][H:105])[H:106])[H:104])=[O:32])([C:47]([C:48]([H:96])([H:97])[H:98])([C:49]([H:99])([H:100])[H:101])[H:102])[H:103])[H:95])=[O:36])([C:38]([O:39][H:84])([H:85])[H:86])[H:94])[H:93])=[O:42])([N:44]([H:87])[H:88])[H:92])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:56])([H:57])[H:58])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:59])([H:60])[H:61])=[C:14]([C:15]([S:46][C:45]([C@@:43]([C:41]([N:40]([C@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:110])([H:111])[H:112])([C:27]([H:81])([H:82])[H:83])[H:109])([H:107])[H:108])([C:50](=[O:51])[O:52][H:105])[H:106])[H:104])=[O:32])([C:47]([C:48]([H:96])([H:97])[H:98])([C:49]([H:99])([H:100])[H:101])[H:102])[H:103])[H:95])=[O:36])([C:38]([O:39][H:84])([H:85])[H:86])[H:94])[H:93])=[O:42])([N:44]([H:87])[H:88])[H:92])([H:90])[H:91])([H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77])([H:78])([H:79])[H:80].[H][O:16][P:17](=[O:18])([O:19][H:62])[O:20][P:21](=[O:22])([O:23][H:63])[O:24][H:64]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E90 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:73])-[H:74].([#6:33]-[#6@:34](-[#7:35]-[#6:36]-[#6@@:38](-[#7:39])(-[#6:46])-[H:111])(-[#6:49])-[H:119].[#6:44]-[#16:45]-[H])>>([#6:19]-[#6:20](-[#16:45]-[#6:44])(-[H:73])-[H:74].[#7:39]-[#6@:38](-[#6:36]-[#7:35]-[#6@@:34](-[#6:33])(-[#6:49])-[H:119])(-[#6:46])-[H:111]).[#8:21](-[#15:22])-[H]

EVODEX.1-C6 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:48].[#6:51]-[#8:53]>>[#16:48]-[#6:51].[H]-[#8:53]

EVODEX.1-N4 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:90])-[H:91].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20](-[#16:44]-[#6:43])(-[H:90])-[H:91].[H]-[#8:21]-[#15:22]

EVODEX.1-Em37 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]

EVODEX.1-Cm25 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:48].[#8:67]-[#6:68]>>[#16:48]-[#6:68].[H]-[#8:67]

EVODEX.1-Nm41 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]

Source Full Reactions

EVODEX.1-R3392

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:56])([H:57])[H:58])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:59])([H:60])[H:61])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:62])[O:20][P:21](=[O:22])([O:23][H:63])[O:24][H:64])([H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77])([H:78])([H:79])[H:80].[H][S:46][C:45]([C@@:43]([C:41]([N:40]([C@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:110])([H:111])[H:112])([C:27]([H:81])([H:82])[H:83])[H:109])([H:107])[H:108])([C:50](=[O:51])[O:52][H:105])[H:106])[H:104])=[O:32])([C:47]([C:48]([H:96])([H:97])[H:98])([C:49]([H:99])([H:100])[H:101])[H:102])[H:103])[H:95])=[O:36])([C:38]([O:39][H:84])([H:85])[H:86])[H:94])[H:93])=[O:42])([N:44]([H:87])[H:88])[H:92])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:56])([H:57])[H:58])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:59])([H:60])[H:61])=[C:14]([C:15]([S:46][C:45]([C@@:43]([C:41]([N:40]([C@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:110])([H:111])[H:112])([C:27]([H:81])([H:82])[H:83])[H:109])([H:107])[H:108])([C:50](=[O:51])[O:52][H:105])[H:106])[H:104])=[O:32])([C:47]([C:48]([H:96])([H:97])[H:98])([C:49]([H:99])([H:100])[H:101])[H:102])[H:103])[H:95])=[O:36])([C:38]([O:39][H:84])([H:85])[H:86])[H:94])[H:93])=[O:42])([N:44]([H:87])[H:88])[H:92])([H:90])[H:91])([H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77])([H:78])([H:79])[H:80].[H][O:16][P:17](=[O:18])([O:19][H:62])[O:20][P:21](=[O:22])([O:23][H:63])[O:24][H:64]