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EVODEX.1-P2157

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E65 - Reaction Operator E

Reaction Operator E SMIRKS

([#7:9](-[#6@@:8])(-[H:26])-[H].[#6:11]-[#6:12](-[#7:13](-[H:28])-[H:29])=[#8:14])>>[#7:9](-[#6@@:8])(-[H:26])-[#6:12](=[#8:14])-[#6:11].[#7:13](-[H:28])(-[H:29])-[H]

EVODEX.1-C370 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7:12]-[#6@:11].[#6:15]-[#7:16].[#6@@:2])>>([#7:12](-[#6@@:11])-[#6:15].[#6@:2]).[H]-[#7:16]

EVODEX.1-N429 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#7:12](-[#6@:11](-[#6:9])(-[#6:13]-[#6:14]-[#6:15](-[#7:16](-[H:26])-[H:27])=[#8:17])-[H:32])-[H:24].[#7:3]-[#6@@:2](-[#6:1])(-[#6:18])-[H:38])>>([#6:1]-[#6@:2](-[#7:3])(-[#6:18])-[H:38].[#6:9]-[#6@@:11]1(-[H:32])-[#7:12](-[H:24])-[#6:15](=[#8:17])-[#6:14]-[#6:13]-1).[H]-[#7:16](-[H:26])-[H:27]

EVODEX.1-Em471 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#7:12]-[#6:11].[#6:14]-[#6:15](-[#7:16])=[#8:17])>>[#6:11]-[#7:12]-[#6:15](=[#8:17])-[#6:14].[H]-[#7:16]

EVODEX.1-Cm101 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#7:9].[#6:4]-[#7:3])>>[#6:4]-[#7:9].[H]-[#7:3]

EVODEX.1-Nm422 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#7:12]-[#6:11].[#6:14]-[#6:15](-[#7:16])=[#8:17])>>[#6:11]-[#7:12]-[#6:15](=[#8:17])-[#6:14].[H]-[#7:16]

Source Full Reactions

EVODEX.1-R2906

Full Reaction Rendering

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