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EVODEX.1-P4824

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:10]([C:9]1:[C:8]([H:28]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:27]):[C:2]([C:1]([H:45])([H:46])[H:47]):[C:25]:2:[C:24]([H:44]):[C:23]:1[H:43])[H:42])C([H])([H])[H]>>[H][N:10]([C:9]1:[C:8]([H:28]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:27]):[C:2]([C:1]([H:45])([H:46])[H:47]):[C:25]:2:[C:24]([H:44]):[C:23]:1[H:43])[H:42]

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-R5623

Full Reaction Rendering

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