EVODEX.1-P4800 - Partial Reaction

SMIRKS

[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:4]([C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]2:[C:9]([C:10]([F:11])([F:12])[F:13]):[C:14]([H:27]):[C:15](=[O:16]):[O:17]:[C:18]:2:[C:19]:1[H:28])[H:29]>>[H][N:4]([C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]2:[C:9]([C:10]([F:11])([F:12])[F:13]):[C:14]([H:27]):[C:15](=[O:16]):[O:17]:[C:18]:2:[C:19]:1[H:28])[H:29]

Derived Operators

EVODEX.1-F278 - Elemental Balance

O	-1
C	-5
N	-1
H	-7

EVODEX.1-M142 - Mass Difference

-97.05281

EVODEX.1-E1031 - Reaction Operator E

[#7:27](-[#6@:19])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:62]>>[#7:27](-[#6@:19])(-[H:62])-[H]

EVODEX.1-C563 - Reaction Operator C

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

EVODEX.1-N716 - Reaction Operator N

[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:4](-[#6:5])-[H:29]>>[H]-[#7:4](-[#6:5])-[H:29]

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-R5602

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