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EVODEX.1-P4075

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C(=O)O[C:11]([C@:9]([C@:7]([C@@:6]1([H:36])[C@@:5]([N:4]([C:2]([C:1]([H:44])([H:45])[H:46])=[O:3])[H:43])([H:26])[C@:23]([O:24][H:41])([H:42])[C:22]([H:39])([H:40])[C@@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[O:16]1)([O:8][H:27])[H:35])([O:10][H:28])[H:34])([H:32])[H:33].[H][O:25][H:47]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:26])[C@@:6]([C@:7]([O:8][H:27])([C@:9]([O:10][H:28])([C:11]([O:25][H:47])([H:32])[H:33])[H:34])[H:35])([H:36])[O:16][C@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[C:22]([H:39])([H:40])[C@@:23]1([O:24][H:41])[H:42])[H:43])([H:44])([H:45])[H:46]

Derived Operators

EVODEX.1-F301 - Elemental Balance

O-2
C-2
H-4

EVODEX.1-M87 - Mass Difference

-60.02112

EVODEX.1-E611 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:9]-[#6:11](-[#8]-[#6](-[#6](-[H])(-[H])-[H])=[#8])(-[H:54])-[H:55].[#8:47](-[H:89])-[H]>>[#6:9]-[#6:11](-[#8:47]-[H:89])(-[H:54])-[H:55]

EVODEX.1-C1368 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:11].[#6@:23].[#6@@:17]).[H]-[#8:25]>>([#6:11]-[#8:25].[#6@:17].[#6@@:23])

EVODEX.1-N1731 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:11](-[#6@:9])(-[H:32])-[H:33].[#8:24]-[#6@@:23](-[#6@@:5])(-[H:42])-[#6:22]-[#6@@:17](-[#8:18])(-[#6:19])-[#8:16]).[H]-[#8:25]-[H:47]>>([#6:11](-[#6@:9])(-[#8:25]-[H:47])(-[H:32])-[H:33].[#8:16]-[#6@:17](-[#8:18])(-[#6:19])-[#6:22]-[#6@@:23](-[#6@@:5])(-[#8:24])-[H:42])

EVODEX.1-Em69 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

EVODEX.1-Cm6 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm83 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

Source Full Reactions

EVODEX.1-R4919

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:26])[C@@:6]([C@:7]([O:8][H:27])([C@:9]([O:10][H:28])([C:11]([O:12][C:13]([C:14]([H:29])([H:30])[H:31])=[O:15])([H:32])[H:33])[H:34])[H:35])([H:36])[O:16][C@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[C:22]([H:39])([H:40])[C@@:23]1([O:24][H:41])[H:42])[H:43])([H:44])([H:45])[H:46].[H][O:25][H:47]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:26])[C@@:6]([C@:7]([O:8][H:27])([C@:9]([O:10][H:28])([C:11]([O:25][H:47])([H:32])[H:33])[H:34])[H:35])([H:36])[O:16][C@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[C:22]([H:39])([H:40])[C@@:23]1([O:24][H:41])[H:42])[H:43])([H:44])([H:45])[H:46].[H][O:12][C:13]([C:14]([H:29])([H:30])[H:31])=[O:15]