EVODEX.1-P1610

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:42][C:41]([C@@:39]1([O:40][H:65])[C@:25]([N:24]([C:23]2:[C:22]([H:46]):[C:21]([H:45]):[C:20]([H:44]):[C:19]([C:17]([C:16]([H:71])([H:72])[H:73])=[O:18]):[C:43]:2[H:70])[H:69])([H:47])[C@@:26]([N:27]([H:48])[H:49])([H:50])[C@:28]([C:29]([H:51])([H:52])[H:53])([N:30]([C:31](=[O:32])[N:33]([C:34]([H:54])([H:55])[H:56])[C:35]([H:57])([H:58])[H:59])[H:60])[C@@:36]1([C:37]([H:61])([H:62])[H:63])[O:38][H:64])([H:67])[H:68].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([H:76]):[C:14]([H:77]):[C:15]:1[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])([H:85])[H:86]>>[C:8](=[O:9])([C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([H:76]):[C:14]([H:77]):[C:15]:1[H:78])[O:42][C:41]([C@@:39]1([O:40][H:65])[C@:25]([N:24]([C:23]2:[C:22]([H:46]):[C:21]([H:45]):[C:20]([H:44]):[C:19]([C:17]([C:16]([H:71])([H:72])[H:73])=[O:18]):[C:43]:2[H:70])[H:69])([H:47])[C@@:26]([N:27]([H:48])[H:49])([H:50])[C@:28]([C:29]([H:51])([H:52])[H:53])([N:30]([C:31](=[O:32])[N:33]([C:34]([H:54])([H:55])[H:56])[C:35]([H:57])([H:58])[H:59])[H:60])[C@@:36]1([C:37]([H:61])([H:62])[H:63])[O:38][H:64])([H:67])[H:68].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:84])([H:85])[H:86])=[O:3])[H:83])([H:81])[H:82])([H:79])[H:80]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E306 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#16:5]-[#6:6].[#7:53]-[#6@@:54](-[#6:55]-[#6:56]-[#8:57]-[H])(-[#6:58])-[H:107]>>[#6:2]-[#6:3](=[#8:4])-[#8:57]-[#6:56]-[#6:55]-[#6@:54](-[#7:53])(-[#6:58])-[H:107].[#16:5](-[#6:6])-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N1 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23].[H]-[#8:92]-[#6:91]>>[#6:19]-[#6:20](=[#8:21])-[#8:92]-[#6:91].[H]-[#16:22]-[#6:23]

EVODEX.1-Em43 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#16:18]-[#6:19].[H]-[#8:77]-[#6:76]>>[#6:15]-[#6:16](=[#8:17])-[#8:77]-[#6:76].[H]-[#16:18]-[#6:19]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm31 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23].[H]-[#8:92]-[#6:91]>>[#6:19]-[#6:20](=[#8:21])-[#8:92]-[#6:91].[H]-[#16:22]-[#6:23]

Source Full Reactions

EVODEX.1-R2159

Full Reaction Rendering

[H][O:42][C:41]([C@@:39]1([O:40][H:65])[C@:25]([N:24]([C:23]2:[C:22]([H:46]):[C:21]([H:45]):[C:20]([H:44]):[C:19]([C:17]([C:16]([H:71])([H:72])[H:73])=[O:18]):[C:43]:2[H:70])[H:69])([H:47])[C@@:26]([N:27]([H:48])[H:49])([H:50])[C@:28]([C:29]([H:51])([H:52])[H:53])([N:30]([C:31](=[O:32])[N:33]([C:34]([H:54])([H:55])[H:56])[C:35]([H:57])([H:58])[H:59])[H:60])[C@@:36]1([C:37]([H:61])([H:62])[H:63])[O:38][H:64])([H:67])[H:68].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([H:76]):[C:14]([H:77]):[C:15]:1[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])([H:85])[H:86]>>[C:8](=[O:9])([C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([H:76]):[C:14]([H:77]):[C:15]:1[H:78])[O:42][C:41]([C@@:39]1([O:40][H:65])[C@:25]([N:24]([C:23]2:[C:22]([H:46]):[C:21]([H:45]):[C:20]([H:44]):[C:19]([C:17]([C:16]([H:71])([H:72])[H:73])=[O:18]):[C:43]:2[H:70])[H:69])([H:47])[C@@:26]([N:27]([H:48])[H:49])([H:50])[C@:28]([C:29]([H:51])([H:52])[H:53])([N:30]([C:31](=[O:32])[N:33]([C:34]([H:54])([H:55])[H:56])[C:35]([H:57])([H:58])[H:59])[H:60])[C@@:36]1([C:37]([H:61])([H:62])[H:63])[O:38][H:64])([H:67])[H:68].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:84])([H:85])[H:86])=[O:3])[H:83])([H:81])[H:82])([H:79])[H:80]