EVODEX.1-P4963

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]([S:11][C:12]([C@:13]([N:14]([C:15](=[O:16])[C:17]([C:18]([C@:19]([N:20]([H:32])[H:33])([C:21](=[O:22])[O:23][H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])([C:24](=[O:25])[N:26]([C:27]([C:28](=[O:29])[O:30][H:41])([H:42])[H:43])[H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[H][O:31][H:69]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([O:31][H:69])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[H][S:11][C:12]([C@:13]([N:14]([C:15](=[O:16])[C:17]([C:18]([C@:19]([N:20]([H:32])[H:33])([C:21](=[O:22])[O:23][H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])([C:24](=[O:25])[N:26]([C:27]([C:28](=[O:29])[O:30][H:41])([H:42])[H:43])[H:44])[H:45])([H:46])[H:47]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E121 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5](-[#6@:6])(-[H:16])-[H:17].[#8:11](-[H:24])-[H]>>[#6:5](-[#6@:6])(-[#8:11]-[H:24])(-[H:16])-[H:17].[#6:3]-[#16:4]-[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-N648 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6:7](-[#16:8]-[#6:9])(-[H:45])-[H:46].[H]-[#8:28]-[H:60]>>[#6:6]-[#6:7](-[#8:28]-[H:60])(-[H:45])-[H:46].[H]-[#16:8]-[#6:9]

EVODEX.1-Em612 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#6:7]-[#16:8]-[#6:9].[H]-[#8:28]>>[#6:6]-[#6:7]-[#8:28].[H]-[#16:8]-[#6:9]

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-Nm547 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#6:7]-[#16:8]-[#6:9].[H]-[#8:28]>>[#6:6]-[#6:7]-[#8:28].[H]-[#16:8]-[#6:9]

Source Full Reactions

EVODEX.1-R5746

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([S:11][C:12]([C@:13]([N:14]([C:15](=[O:16])[C:17]([C:18]([C@:19]([N:20]([H:32])[H:33])([C:21](=[O:22])[O:23][H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])([C:24](=[O:25])[N:26]([C:27]([C:28](=[O:29])[O:30][H:41])([H:42])[H:43])[H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[H][O:31][H:69]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([O:31][H:69])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[H][S:11][C:12]([C@:13]([N:14]([C:15](=[O:16])[C:17]([C:18]([C@:19]([N:20]([H:32])[H:33])([C:21](=[O:22])[O:23][H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])([C:24](=[O:25])[N:26]([C:27]([C:28](=[O:29])[O:30][H:41])([H:42])[H:43])[H:44])[H:45])([H:46])[H:47]