EVODEX.1-P305 - Partial Reaction

SMIRKS

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:19][C:20](=[O:21])[C@@:22]1([H:54])[C:23]([H:55])([H:56])[S:24][C:25]([C:26]2:[N:27]:[C:28]3:[C:29]([H:57]):[C:30]([H:58]):[C:31]([O:32][H:59]):[C:33]([H:60]):[C:34]:3:[S:35]:2)=[N:36]1>>[H][O:19][C:20](=[O:21])[C@@:22]1([H:54])[C:23]([H:55])([H:56])[S:24][C:25]([C:26]2:[N:27]:[C:28]3:[C:29]([H:57]):[C:30]([H:58]):[C:31]([O:32][H:59]):[C:33]([H:60]):[C:34]:3:[S:35]:2)=[N:36]1

Derived Operators

EVODEX.1-F123 - Elemental Balance

P	-1
O	-6
C	-10
N	-5
H	-12

EVODEX.1-M64 - Mass Difference

-329.05266

EVODEX.1-E750 - Reaction Operator E

[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:19]-[#6:20])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:19](-[#6:20])-[H]

EVODEX.1-C93 - Reaction Operator C

[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:50]>>[H]-[#8:50]

EVODEX.1-N147 - Reaction Operator N

EVODEX.1-Em79 - Reaction Operator Em

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

EVODEX.1-Cm44 - Reaction Operator Cm

[#15]-[#8:50]>>[H]-[#8:50]

EVODEX.1-Nm100 - Reaction Operator Nm

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

Source Full Reactions

EVODEX.1-R333

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