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EVODEX.1-P4809

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([O:20][H:37]):[C:21]([H:38]):[C:22]:1[H:39])([H:40])[H:41])([C:23](=[O:24])[O:25][H:42])[H:43])[H:44])C([H])([H])[H]>>[H][N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([O:20][H:37]):[C:21]([H:38]):[C:22]:1[H:39])([H:40])[H:41])([C:23](=[O:24])[O:25][H:42])[H:43])[H:44]

Derived Operators

EVODEX.1-F484 - Elemental Balance

O-2
C-8
N-2
H-12

EVODEX.1-M461 - Mass Difference

-168.08996000000002

EVODEX.1-E1300 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-1(-[#6](=[#8])-[#7:13](-[#6:14])-[H:59])-[H])-[H])(-[H])(-[H])-[H]>>[#7:13](-[#6:14])(-[H:59])-[H]

EVODEX.1-C592 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:13])-[#6](-[H])(-[H])-[H]>>[H]-[#7:13]

EVODEX.1-N748 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:13](-[#6:14])-[H:83])-[#6](-[H])(-[H])-[H]>>[H]-[#7:13](-[#6:14])-[H:83]

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-R5610

Full Reaction Rendering

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