SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:56]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:57]):[N:10]:2[C@:11]1([H:58])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:59])[O:19][S:20](=[O:21])(=[O:22])[O:23][H:60])([H:61])[H:62])([H:63])[C@:24]([O:25][P:26](=[O:27])([O:28][H:64])[O:29][H:65])([H:66])[C@:30]1([O:31][H:67])[H:68])([H:69])[H:70].[H][O:39][C:38]1:[C:37]([H:72]):[C:36]([H:71]):[C:35]([C:34]2:[C:33](=[O:32]):[C:55]3:[C:44](:[O:43]:[C:42]:2[H:76]):[C:45]([H:77]):[C:46]([O:47][S:48](=[O:49])(=[O:50])[O:51][H:78]):[C:52]([H:79]):[C:53]:3[O:54][H:80]):[C:41]([H:75]):[C:40]:1[H:74]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:63])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:56]):[N:3]:[C:2]([N:1]([H:69])[H:70]):[C:7]:3:[N:8]:[C:9]:2[H:57])([H:58])[C@@:30]([O:31][H:67])([H:68])[C@@:24]1([O:25][P:26](=[O:27])([O:28][H:64])[O:29][H:65])[H:66])([H:61])[H:62])(=[O:17])[O:18][H:59].[S:20](=[O:21])(=[O:22])([O:23][H:60])[O:39][C:38]1:[C:37]([H:72]):[C:36]([H:71]):[C:35]([C:34]2:[C:33](=[O:32]):[C:55]3:[C:44](:[O:43]:[C:42]:2[H:76]):[C:45]([H:77]):[C:46]([O:47][S:48](=[O:49])(=[O:50])[O:51][H:78]):[C:52]([H:79]):[C:53]:3[O:54][H:80]):[C:41]([H:75]):[C:40]:1[H:74]
Derived Operators
EVODEX.1-E243 - Reaction Operator E
[#15:33]-[#8:36]-[#16:37](=[#8:38])(=[#8:39])-[#8:40].[#6:7]-[#8:8]-[H]>>[#15:33]-[#8:36]-[H].[#6:7]-[#8:8]-[#16:37](=[#8:38])(=[#8:39])-[#8:40]
EVODEX.1-C999 - Reaction Operator C
([#8:19]-[#16:20].[#6@:24]-[#6@:30]).[H]-[#8:32]>>([H]-[#8:19].[#6@@:30]-[#6@@:24]).[#16:20]-[#8:32]
EVODEX.1-N1237 - Reaction Operator N
([#15:16]-[#8:19]-[#16:20](=[#8:21])(=[#8:22])-[#8:23].[#8:25]-[#6@@:24](-[#6@@:13])(-[H:60])-[#6@:30](-[#6@:11])(-[#8:31])-[H:62]).[H]-[#8:32]-[#6:33]>>([H]-[#8:19]-[#15:16].[#8:31]-[#6@:30](-[#6@:11])(-[H:62])-[#6@@:24](-[#6@@:13])(-[#8:25])-[H:60]).[#16:20](=[#8:21])(=[#8:22])(-[#8:23])-[#8:32]-[#6:33]
EVODEX.1-Em569 - Reaction Operator Em
[H]-[#8:11]-[#6:10].[#15:37]-[#8:40]-[#16:41](=[#8:42])(=[#8:43])-[#8:44]>>[#6:10]-[#8:11]-[#16:41](=[#8:42])(=[#8:43])-[#8:44].[H]-[#8:40]-[#15:37]
EVODEX.1-Nm515 - Reaction Operator Nm
[H]-[#8:11]-[#6:10].[#15:37]-[#8:40]-[#16:41](=[#8:42])(=[#8:43])-[#8:44]>>[#6:10]-[#8:11]-[#16:41](=[#8:42])(=[#8:43])-[#8:44].[H]-[#8:40]-[#15:37]
Source Full Reactions
EVODEX.1-R4562
[N:1]([C:2]1:[N:3]:[C:4]([H:56]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:57]):[N:10]:2[C@:11]1([H:58])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:59])[O:19][S:20](=[O:21])(=[O:22])[O:23][H:60])([H:61])[H:62])([H:63])[C@:24]([O:25][P:26](=[O:27])([O:28][H:64])[O:29][H:65])([H:66])[C@:30]1([O:31][H:67])[H:68])([H:69])[H:70].[H][O:39][C:38]1:[C:37]([H:72]):[C:36]([H:71]):[C:35]([C:34]2:[C:33](=[O:32]):[C:55]3:[C:44](:[O:43]:[C:42]:2[H:76]):[C:45]([H:77]):[C:46]([O:47][S:48](=[O:49])(=[O:50])[O:51][H:78]):[C:52]([H:79]):[C:53]:3[O:54][H:80]):[C:41]([H:75]):[C:40]:1[H:74]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:63])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:56]):[N:3]:[C:2]([N:1]([H:69])[H:70]):[C:7]:3:[N:8]:[C:9]:2[H:57])([H:58])[C@@:30]([O:31][H:67])([H:68])[C@@:24]1([O:25][P:26](=[O:27])([O:28][H:64])[O:29][H:65])[H:66])([H:61])[H:62])(=[O:17])[O:18][H:59].[S:20](=[O:21])(=[O:22])([O:23][H:60])[O:39][C:38]1:[C:37]([H:72]):[C:36]([H:71]):[C:35]([C:34]2:[C:33](=[O:32]):[C:55]3:[C:44](:[O:43]:[C:42]:2[H:76]):[C:45]([H:77]):[C:46]([O:47][S:48](=[O:49])(=[O:50])[O:51][H:78]):[C:52]([H:79]):[C:53]:3[O:54][H:80]):[C:41]([H:75]):[C:40]:1[H:74]