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EVODEX.1-P4779

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E287 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:11]-[#6:13](-[#6:14])(-[#7:21](-[#6:22](=[#8:23])-[#6:24](-[#6:25])(-[#7:32])-[H:74])-[H:75])-[H:76].[#8:46](-[H:83])-[H]>>[#6:22](=[#8:23])(-[#6@:24](-[#6:25])(-[#7:32])-[H:74])-[#8:46]-[H:83].[#6:11]-[#6@:13](-[#6:14])(-[#7:21](-[H:75])-[H])-[H:76]

EVODEX.1-C598 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9]-[#7:17]-[#6:18]-[#6:20].[H]-[#8:89]>>[#6:18](-[#6@:20])-[#8:89].[H]-[#7:17]-[#6@:9]

EVODEX.1-N755 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7]-[#6:9](-[#6:10])(-[#7:17](-[#6:18](=[#8:19])-[#6:20](-[#6:21])(-[#7:28])-[H:150])-[H:151])-[H:152].[H]-[#8:89]-[H:181]>>[#6:18](=[#8:19])(-[#6@:20](-[#6:21])(-[#7:28])-[H:150])-[#8:89]-[H:181].[H]-[#7:17](-[#6@:9](-[#6:7])(-[#6:10])-[H:152])-[H:151]

EVODEX.1-Em51 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:15]>>[#6:5]-[#6:6](=[#8:7])-[#8:15].[H]-[#7:8]-[#6:9]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm49 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]

Source Full Reactions

EVODEX.1-R5583

Full Reaction Rendering

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