SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:48]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:49]):[N:10]:2[C@@:11]1([H:50])[O:12][C@:13]([O:14][P:15](=[O:16])([O:17][H:51])[O:18][P:19](=[O:20])([O:21][H:52])[O:22][P:23](=[O:24])([O:25][H:53])[O:26][H:54])([H:55])[C:27]2([H:56])[O:28][C:29]3([O:30][C:31]12[H:57])[C:32]([N+:33](=[O:34])[O-:35])=[C:36]([H:58])[C:37]([N+:38](=[O:39])[O-:40])([H:59])[C:41]([H:60])=[C:42]3[N+:43](=[O:44])[O-:45])([H:61])[H:62]>>[H]O[P:15]([O:14][C@:13]1([H:55])[O:12][C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:48]):[N:3]:[C:2]([N:1]([H:61])[H:62]):[C:7]:3:[N:8]:[C:9]:2[H:49])([H:50])[C:31]2([H:57])[C:27]1([H:56])[O:28][C:29]1([O:30]2)[C:32]([N+:33](=[O:34])[O-:35])=[C:36]([H:58])[C:37]([N+:38](=[O:39])[O-:40])([H:59])[C:41]([H:60])=[C:42]1[N+:43](=[O:44])[O-:45])(=[O:16])[O:17][H:51].[H]O[P:19]([O:18][H])(=[O:20])[O:21][H:52].[H][O:22][P:23](=[O:24])([O:25][H:53])[O:26][H:54]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E874 - Reaction Operator E
[#8:12]-[#15:13](=[#8:14])(-[#8:15])-[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20]-[#15:21]>>[#8](-[#15:13](-[#8:12])(=[#8:14])-[#8:15])-[H].[#8:20](-[#15:21])-[H].[#8](-[#15:17](-[#8:16]-[H])(=[#8:18])-[#8:19])-[H]
EVODEX.1-C1138 - Reaction Operator C
[#15:4]-[#8:7]-[#15:8]-[#8:11]>>[H]-[#8:11].[H]-[#8]-[#15:8]-[#8:7]-[H].[H]-[#8]-[#15:4]
EVODEX.1-N1413 - Reaction Operator N
[#8:3]=[#15:4](-[#8:5])(-[#8:6])-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[H]-[#8:11]-[#15:12].[H]-[#8]-[#15:8](-[#8:7]-[H])(=[#8:9])-[#8:10].[H]-[#8]-[#15:4](=[#8:3])(-[#8:5])-[#8:6]
EVODEX.1-Em697 - Reaction Operator Em
[#8:3]=[#15:4](-[#8:5])(-[#8:6])-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[H]-[#8:11]-[#15:12].[H]-[#8]-[#15:8](-[#8:7]-[H])(=[#8:9])-[#8:10].[H]-[#8]-[#15:4](=[#8:3])(-[#8:5])-[#8:6]
EVODEX.1-Cm283 - Reaction Operator Cm
[#15:4]-[#8:7]-[#15:8]-[#8:11]>>[H]-[#8:11].[#8]-[#15:8]-[#8:7]-[H].[#8]-[#15:4]
EVODEX.1-Nm626 - Reaction Operator Nm
[#8:3]=[#15:4](-[#8:5])(-[#8:6])-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[H]-[#8:11]-[#15:12].[H]-[#8]-[#15:8](-[#8:7]-[H])(=[#8:9])-[#8:10].[H]-[#8]-[#15:4](=[#8:3])(-[#8:5])-[#8:6]
Source Full Reactions
EVODEX.1-R6638
[N:1]([C:2]1:[N:3]:[C:4]([H:48]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:49]):[N:10]:2[C@@:11]1([H:50])[O:12][C@:13]([O:14][P:15](=[O:16])([O:17][H:51])[O:18][P:19](=[O:20])([O:21][H:52])[O:22][P:23](=[O:24])([O:25][H:53])[O:26][H:54])([H:55])[C:27]2([H:56])[O:28][C:29]3([O:30][C:31]12[H:57])[C:32]([N+:33](=[O:34])[O-:35])=[C:36]([H:58])[C:37]([N+:38](=[O:39])[O-:40])([H:59])[C:41]([H:60])=[C:42]3[N+:43](=[O:44])[O-:45])([H:61])[H:62].[H][O:46][H:63].[H][O:47][H:65]>>[N:1]([C:2]1:[N:3]:[C:4]([H:48]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:49]):[N:10]:2[C@@:11]1([H:50])[O:12][C@:13]([O:14][P:15](=[O:16])([O:17][H:51])[O:46][H:63])([H:55])[C:27]2([H:56])[O:28][C:29]3([O:30][C:31]12[H:57])[C:32]([N+:33](=[O:34])[O-:35])=[C:36]([H:58])[C:37]([N+:38](=[O:39])[O-:40])([H:59])[C:41]([H:60])=[C:42]3[N+:43](=[O:44])[O-:45])([H:61])[H:62].[H][O:18][P:19](=[O:20])([O:21][H:52])[O:47][H:65].[H][O:22][P:23](=[O:24])([O:25][H:53])[O:26][H:54]