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EVODEX.1-P4619

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:10]([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]2:[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]([H:29]):[C:19]:2:[C:20]:1[H:30])[H:31])N([H])[H]>>[H][N:10]([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]2:[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]([H:29]):[C:19]:2:[C:20]:1[H:30])[H:31]

Derived Operators

EVODEX.1-F282 - Elemental Balance

C-6
N-2
O-1
H-12

EVODEX.1-M575 - Mass Difference

-128.09506000000002

EVODEX.1-E1008 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:37](-[#6@:28])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H:78]>>[#7:37](-[#6@:28])(-[H:78])-[H]

EVODEX.1-C566 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:6])-[#7](-[H])-[H]>>[H]-[#7:6]

EVODEX.1-N719 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:46])-[#7](-[H])-[H]>>[H]-[#7:6](-[#6@@:5])-[H:46]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5443

Full Reaction Rendering

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