EVODEX.1-P6428

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E126 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](-[#6@@:8](-[#8:9]-[H:20])(-[#6:10])-[H:36])(-[H:37])-[H]>>[#6:6]-[#6:7](=[#6:8](-[#6:10])-[H:36])-[H:37].[#8:9](-[H:20])-[H]

EVODEX.1-C48 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:2]-[#6:3]-[#8:4]>>[#6:2]=[#6:3].[H]-[#8:4]

EVODEX.1-N15 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:2](-[#6:1])(-[#6:3](-[#8:4]-[H:55])(-[#6:5])-[H:91])-[H:92]>>[#6:1]-[#6:2](=[#6:3](-[#6:5])-[H:91])-[H:92].[H]-[#8:4]-[H:55]

EVODEX.1-Em767 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:7](-[#6:6])-[#6:8](-[#8:9])-[#6:10]>>[#6:6]-[#6:7]=[#6:8]-[#6:10].[H]-[#8:9]

EVODEX.1-Cm74 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:36]-[#6:19]-[#8:18]>>[#6:19]=[#6:36].[H]-[#8:18]

EVODEX.1-Nm69 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#6:1])-[#6:3](-[#8:4])-[#6:5]>>[#6:1]-[#6:2]=[#6:3]-[#6:5].[H]-[#8:4]

Source Full Reactions

EVODEX.1-R7016

Full Reaction Rendering

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