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EVODEX.1-P5459

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:26]):[C:16]([H:27]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:28]):[C:22]:1[H:29])([H:30])[H:31])([C:23](=[O:24])[O:25][H:32])[H:33])[H:34]>>[H]C1:C([H]):C([H]):C(C([H])([H])C(=O)[N:11]([C@@:12]([C:13]([C:14]2:[C:15]([H:26]):[C:16]([H:27]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:28]):[C:22]:2[H:29])([H:30])[H:31])([C:23](=[O:24])[O:25][H:32])[H:33])[H:34]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F214 - Elemental Balance

C8
O1
H6

EVODEX.1-M284 - Mass Difference

118.04188

EVODEX.1-E921 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6:2])(-[H:28])-[H]>>[#7:1](-[#6:2])(-[#6](=[#8])-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H:28]

EVODEX.1-C682 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:1]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-N840 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[#6@@:2])-[H:28]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:28]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6203

Full Reaction Rendering

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