EVODEX.1-P4653 - Partial Reaction

SMIRKS

[H]N([H])C([H])([H])C([H])([H])C(=O)[N:9]([C:8]1:[C:7]([H:26]):[C:6]([H:25]):[C:5]2:[N:4]:[C:3]3:[C:2]([C:1]([H:39])([H:40])[H:41]):[C:22]([C:23]([H:36])([H:37])[H:38]):[C:20](=[O:21]):[C:19]([H:35]):[C:18]3:[O:17]:[C:16]:2:[C:15]:1[H:34])[H:33]>>[H][N:9]([C:8]1:[C:7]([H:26]):[C:6]([H:25]):[C:5]2:[N:4]:[C:3]3:[C:2]([C:1]([H:39])([H:40])[H:41]):[C:22]([C:23]([H:36])([H:37])[H:38]):[C:20](=[O:21]):[C:19]([H:35]):[C:18]3:[O:17]:[C:16]:2:[C:15]:1[H:34])[H:33]

Derived Operators

EVODEX.1-F138 - Elemental Balance

O	-1
C	-3
N	-1
H	-5

EVODEX.1-M45 - Mass Difference

-71.03715000000001

EVODEX.1-E791 - Reaction Operator E

[#7:6](-[#6@:5])(-[#6](=[#8])-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])-[H:25]>>[#7:6](-[#6@:5])(-[H:25])-[H]

EVODEX.1-C571 - Reaction Operator C

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

EVODEX.1-N725 - Reaction Operator N

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

EVODEX.1-Em1 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

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

EVODEX.1-Nm1 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R5474

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