EVODEX.1-P4631 - Partial Reaction

SMIRKS

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:20]([C@:12]([C:10]([N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:73])[N:3]([H:36])[H:37])[H:72])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([C:32](=[O:33])[O:34][H:64])[H:65])[H:63])=[O:11])([C:13]([C:14]([C:15]([N:16]([C:17](=[N:18][H:38])[N:19]([H:39])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:62])[H:61])N([H])[H]>>[H][N:20]([C@:12]([C:10]([N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:73])[N:3]([H:36])[H:37])[H:72])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([C:32](=[O:33])[O:34][H:64])[H:65])[H:63])=[O:11])([C:13]([C:14]([C:15]([N:16]([C:17](=[N:18][H:38])[N:19]([H:39])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:62])[H:61]

Derived Operators

EVODEX.1-F468 - Elemental Balance

O	-1
C	-6
N	-4
H	-12

EVODEX.1-M80 - Mass Difference

-156.10126

EVODEX.1-E1279 - Reaction Operator E

[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:65])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]>>[#7:12](-[#6@@:13])(-[H:65])-[H]

EVODEX.1-C132 - Reaction Operator C

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12])-[#7](-[H])-[H]>>[H]-[#7:12]

EVODEX.1-N693 - Reaction Operator N

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:20](-[#6@:12])-[H:61])-[#7](-[H])-[H]>>[H]-[#7:20](-[#6@:12])-[H:61]

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-R5454

[N:1](=[C:2]([N:3]([H:36])[H:37])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]([C:13]([C:14]([C:15]([N:16]([C:17](=[N:18][H:38])[N:19]([H:39])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([N:20]([C:21](=[O:22])[C@@:23]([N:24]([H:48])[H:49])([C:25]([C:26]([C:27]([N:28]([C:29](=[N:30][H:50])[N:31]([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:60])[H:61])[H:62])[H:63])([C:32](=[O:33])[O:34][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])[H:73].[H][O:35][H:74]>>[C:21](=[O:22])([C@@:23]([N:24]([H:48])[H:49])([C:25]([C:26]([C:27]([N:28]([C:29](=[N:30][H:50])[N:31]([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:60])[O:35][H:74].[H][N:20]([C@:12]([C:10]([N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:73])[N:3]([H:36])[H:37])[H:72])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([C:32](=[O:33])[O:34][H:64])[H:65])[H:63])=[O:11])([C:13]([C:14]([C:15]([N:16]([C:17](=[N:18][H:38])[N:19]([H:39])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:62])[H:61]