SMIRKS
[N:17]([C:18]1:[C:19]([H:46]):[C:20]([H:47]):[N:21]([C@:22]2([H:48])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:49])[O:30][P:31](=[O:32])([O:33][H:50])[O:34][P:35](=[O:36])([O:37][H:51])[O:38][H:52])([H:53])[H:54])([H:55])[C@:39]([O:40][H:56])([H:57])[C@:41]2([O:42][H:58])[H:59]):[C:43](=[O:44]):[N:45]:1)([H:60])[H:61].[H][O:8][C@@:7]1([C:9](=[O:10])[O:11][H:65])[O:6][C@@:5]([C@@:3]([C:2]([N:1]([H:75])[H:76])([H:73])[H:74])([O:4][H:62])[H:72])([H:63])[C@@:15]([O:16][H:70])([H:71])[C@@:13]([O:14][H:68])([H:69])[C:12]1([H:66])[H:67]>>[N:1]([C:2]([C@@:3]([O:4][H:62])([C@@:5]1([H:63])[O:6][C@@:7]([O:8][P:27]([O:26][C:25]([C@@:24]2([H:55])[O:23][C@:22]([N:21]3:[C:20]([H:47]):[C:19]([H:46]):[C:18]([N:17]([H:60])[H:61]):[N:45]:[C:43]:3=[O:44])([H:48])[C@@:41]([O:42][H:58])([H:59])[C@@:39]2([O:40][H:56])[H:57])([H:53])[H:54])(=[O:28])[O:29][H:49])([C:9](=[O:10])[O:11][H:65])[C:12]([H:66])([H:67])[C@:13]([O:14][H:68])([H:69])[C@:15]1([O:16][H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76].[H][O:30][P:31](=[O:32])([O:33][H:50])[O:34][P:35](=[O:36])([O:37][H:51])[O:38][H:52]
Derived Operators
EVODEX.1-E78 - Reaction Operator E
[#8:17](-[#6@:16])-[H].([#8:64]-[#15:65](=[#8:66])(-[#8:67])-[#8:68]-[#15:69].[#8:93]-[#6@@:92](-[#6@@:54])(-[H:147])-[#6@:94](-[#6@:52])(-[#8:95])-[H:149])>>([#8:17](-[#6@:16])-[#15:65](-[#8:64])(=[#8:66])-[#8:67].[#8:95]-[#6@:94](-[#6@:52])(-[H:149])-[#6@@:92](-[#6@@:54])(-[#8:93])-[H:147]).[#8:68](-[#15:69])-[H]
EVODEX.1-C997 - Reaction Operator C
([H]-[#8:21].[#6@@:25]-[#6@@:23]).([#15:45]-[#8:48].[#6@:57]-[#6@:59])>>([#8:21]-[#15:45].[#6@@:59]-[#6@@:57].[#6@:23]-[#6@:25]).[H]-[#8:48]
EVODEX.1-N1715 - Reaction Operator N
([#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30]-[#15:31].[#8:40]-[#6@@:39](-[#6@@:24])(-[H:57])-[#6@:41](-[#6@:22])(-[#8:42])-[H:59]).[H]-[#8:8]-[#6@@:7]-[#6:12]-[#6@:13](-[#6@:15](-[#6@@:5])(-[#8:16])-[H:71])(-[#8:14])-[H:69]>>([#8:8](-[#6@@:7]-[#6:12]-[#6@:13](-[#8:14])(-[H:69])-[#6@:15](-[#6@@:5])(-[#8:16])-[H:71])-[#15:27](-[#8:26])(=[#8:28])-[#8:29].[#8:42]-[#6@:41](-[#6@:22])(-[H:59])-[#6@@:39](-[#6@@:24])(-[#8:40])-[H:57]).[H]-[#8:30]-[#15:31]
EVODEX.1-Em16 - Reaction Operator Em
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
EVODEX.1-Nm19 - Reaction Operator Nm
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
Source Full Reactions
EVODEX.1-R4506
[N:17]([C:18]1:[C:19]([H:46]):[C:20]([H:47]):[N:21]([C@:22]2([H:48])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:49])[O:30][P:31](=[O:32])([O:33][H:50])[O:34][P:35](=[O:36])([O:37][H:51])[O:38][H:52])([H:53])[H:54])([H:55])[C@:39]([O:40][H:56])([H:57])[C@:41]2([O:42][H:58])[H:59]):[C:43](=[O:44]):[N:45]:1)([H:60])[H:61].[H][O:8][C@@:7]1([C:9](=[O:10])[O:11][H:65])[O:6][C@@:5]([C@@:3]([C:2]([N:1]([H:75])[H:76])([H:73])[H:74])([O:4][H:62])[H:72])([H:63])[C@@:15]([O:16][H:70])([H:71])[C@@:13]([O:14][H:68])([H:69])[C:12]1([H:66])[H:67]>>[N:1]([C:2]([C@@:3]([O:4][H:62])([C@@:5]1([H:63])[O:6][C@@:7]([O:8][P:27]([O:26][C:25]([C@@:24]2([H:55])[O:23][C@:22]([N:21]3:[C:20]([H:47]):[C:19]([H:46]):[C:18]([N:17]([H:60])[H:61]):[N:45]:[C:43]:3=[O:44])([H:48])[C@@:41]([O:42][H:58])([H:59])[C@@:39]2([O:40][H:56])[H:57])([H:53])[H:54])(=[O:28])[O:29][H:49])([C:9](=[O:10])[O:11][H:65])[C:12]([H:66])([H:67])[C@:13]([O:14][H:68])([H:69])[C@:15]1([O:16][H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76].[H][O:30][P:31](=[O:32])([O:33][H:50])[O:34][P:35](=[O:36])([O:37][H:51])[O:38][H:52]