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EVODEX.1-P861

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:72])([H:73])[H:74])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:75])([H:76])[H:77])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:78])([H:79])[H:80])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:81])([H:82])[H:83])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:84])([H:85])[H:86])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:87])([H:88])[H:89])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:90])([H:91])[H:92])[C:39]([C:40]([C:41](=[C:42]([C:43]([H:93])([H:94])[H:95])[C:44]([C:45]([C:46](=[C:47]([C:48]([H:96])([H:97])[H:98])[C:49]([C:50]([C:51](=[C:52]([C:53]([H:99])([H:100])[H:101])[C:54]([C:55]([C:56](=[C:57]([C:58]([H:102])([H:103])[H:104])[C:59]([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])=[C:60]([C:61]([H:156])([H:157])[H:158])[C:62]1=[O:63])([H:159])([H:160])[H:161].[H][C:67]([C:65](=[O:64])[O:66][H:162])([C:68]([H])([C:69](=[O:70])[O:71][H:163])[H:164])[H:166]>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:72])([H:73])[H:74]):[C:3]([O:2][C:1]([H:159])([H:160])[H:161]):[C:62]([O:63][H]):[C:60]([C:61]([H:156])([H:157])[H:158]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:75])([H:76])[H:77])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:78])([H:79])[H:80])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:81])([H:82])[H:83])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:84])([H:85])[H:86])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:87])([H:88])[H:89])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:90])([H:91])[H:92])[C:39]([C:40]([C:41](=[C:42]([C:43]([H:93])([H:94])[H:95])[C:44]([C:45]([C:46](=[C:47]([C:48]([H:96])([H:97])[H:98])[C:49]([C:50]([C:51](=[C:52]([C:53]([H:99])([H:100])[H:101])[C:54]([C:55]([C:56](=[C:57]([C:58]([H:102])([H:103])[H:104])[C:59]([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].[O:64]=[C:65]([O:66][H:162])[C:67](=[C:68]([C:69](=[O:70])[O:71][H:163])[H:164])[H:166]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E328 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]1=[#6:4]-[#6:6](=[#8:7])-[#6:8]=[#6:10]-[#6:26]-1=[#8:27].[#8:28]=[#6:29]-[#6:31](-[#6:32](-[#6:33]=[#8:34])(-[H:71])-[H])(-[H:73])-[H]>>[#6:3]1:[#6:4]:[#6:6](-[#8:7]-[H]):[#6:8]:[#6:10]:[#6:26]:1-[#8:27]-[H].[#8:28]=[#6:29]-[#6:31](=[#6:32](-[#6:33]=[#8:34])-[H:71])-[H:73]

EVODEX.1-C240 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:7].[#8:15]).[H]-[#6:19]-[#6:20]-[H]>>([H]-[#8:7].[#8:15]-[H]).[#6:19]=[#6:20]

EVODEX.1-N225 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])(-[#6:20](-[H])(-[#6:21])-[H:40])-[H:42]>>([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19](=[#6:20](-[#6:21])-[H:40])-[H:42]

EVODEX.1-Em325 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:3]1=[#6:4]-[#6:6](=[#8:7])-[#6:8]=[#6:11]-[#6:14]-1=[#8:15].[H]-[#6:19](-[#6:17]=[#8:16])-[#6:20](-[H])-[#6:21]=[#8:22]>>[H]-[#8:7]-[#6:6]1:[#6:4]:[#6:3]:[#6:14](-[#8:15]-[H]):[#6:11]:[#6:8]:1.[#8:16]=[#6:17]-[#6:19]=[#6:20]-[#6:21]=[#8:22]

EVODEX.1-Cm221 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#8:7].[#8:15]).[H]-[#6:19]-[#6:20]-[H]>>([H]-[#8:7].[#8:15]-[H]).[#6:19]=[#6:20]

EVODEX.1-Nm309 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])-[#6:20](-[H])-[#6:21]>>([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19]=[#6:20]-[#6:21]

Source Full Reactions

EVODEX.1-R829

Full Reaction Rendering

[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:72])([H:73])[H:74])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:75])([H:76])[H:77])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:78])([H:79])[H:80])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:81])([H:82])[H:83])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:84])([H:85])[H:86])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:87])([H:88])[H:89])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:90])([H:91])[H:92])[C:39]([C:40]([C:41](=[C:42]([C:43]([H:93])([H:94])[H:95])[C:44]([C:45]([C:46](=[C:47]([C:48]([H:96])([H:97])[H:98])[C:49]([C:50]([C:51](=[C:52]([C:53]([H:99])([H:100])[H:101])[C:54]([C:55]([C:56](=[C:57]([C:58]([H:102])([H:103])[H:104])[C:59]([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])=[C:60]([C:61]([H:156])([H:157])[H:158])[C:62]1=[O:63])([H:159])([H:160])[H:161].[H][C:67]([C:65](=[O:64])[O:66][H:162])([C:68]([H])([C:69](=[O:70])[O:71][H:163])[H:164])[H:166]>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:72])([H:73])[H:74]):[C:3]([O:2][C:1]([H:159])([H:160])[H:161]):[C:62]([O:63][H]):[C:60]([C:61]([H:156])([H:157])[H:158]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:75])([H:76])[H:77])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:78])([H:79])[H:80])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:81])([H:82])[H:83])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:84])([H:85])[H:86])[C:29]([C:30]([C:31](=[C:32]([C:33]([H:87])([H:88])[H:89])[C:34]([C:35]([C:36](=[C:37]([C:38]([H:90])([H:91])[H:92])[C:39]([C:40]([C:41](=[C:42]([C:43]([H:93])([H:94])[H:95])[C:44]([C:45]([C:46](=[C:47]([C:48]([H:96])([H:97])[H:98])[C:49]([C:50]([C:51](=[C:52]([C:53]([H:99])([H:100])[H:101])[C:54]([C:55]([C:56](=[C:57]([C:58]([H:102])([H:103])[H:104])[C:59]([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].[O:64]=[C:65]([O:66][H:162])[C:67](=[C:68]([C:69](=[O:70])[O:71][H:163])[H:164])[H:166]