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EVODEX.1-P5010

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:21]([C:22]1:[C:23]([H:40]):[C:24]([H:41]):[C:25]([N+:26](=[O:27])[O-:28]):[C:29]([H:42]):[C:30]:1[H:43])[H:44])N([H])C(=O)OC([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:21]([C:22]1:[C:23]([H:40]):[C:24]([H:41]):[C:25]([N+:26](=[O:27])[O-:28]):[C:29]([H:42]):[C:30]:1[H:43])[H:44]

Derived Operators

EVODEX.1-F507 - Elemental Balance

C-13
O-5
N-1
H-13

EVODEX.1-M480 - Mass Difference

-263.07939

EVODEX.1-E1325 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H])-[H:55]>>[#7:5](-[#6@:4])(-[H:55])-[H]

EVODEX.1-C616 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:5]

EVODEX.1-N771 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:53])-[#7](-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:5](-[#6@@:4])-[H:53]

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-R5792

Full Reaction Rendering

[O:2]=[C:3]([O:4][H:31])[C:5]([C:6]([C@:7]([N:8]([C:9](=[O:10])[O:11][C:12]([C:13]1:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:1[H:36])([H:37])[H:38])[H:39])([C:19](=[O:20])[N:21]([C:22]1:[C:23]([H:40]):[C:24]([H:41]):[C:25]([N+:26](=[O:27])[O-:28]):[C:29]([H:42]):[C:30]:1[H:43])[H:44])[H:45])([H:46])[H:47])([H:48])[H:49].[H][O:1][H:50]>>[H][N:21]([C:22]1:[C:23]([H:40]):[C:24]([H:41]):[C:25]([N+:26](=[O:27])[O-:28]):[C:29]([H:42]):[C:30]:1[H:43])[H:44].[O:1]([C:19]([C@:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:31])([H:48])[H:49])([H:46])[H:47])([N:8]([C:9](=[O:10])[O:11][C:12]([C:13]1:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:1[H:36])([H:37])[H:38])[H:39])[H:45])=[O:20])[H:50]