SMIRKS
[H][O:24][P:22]([O:21][C@:20]1([H:85])[C@:17]([C:18]([O:19][H:65])([H:66])[H:67])([H:68])[O:16][C@@:15]([N:14]2:[C:6]3:[N:5]:[C:4]([N:2]([C:1]([H:88])([H:89])[H:90])[C:3]([H:56])([H:57])[H:58]):[N:10]([H:59]):[C:8](=[O:9]):[C:7]:3:[N+:11]([C:12]([H:60])([H:61])[H:62]):[C:13]:2[H:63])([H:64])[C@@:53]1([O:54][H:86])[H:87])(=[O:23])[O:25][P:26](=[O:27])([O:28][H:70])[O:29][P:30](=[O:31])([O:32][H:71])[O:33][C:34]([C@@:35]1([H:72])[O:36][C@@:37]([N:38]2:[C:39]([H:73]):[N:40]:[C:41]3:[C:42]([N:43]([H:74])[H:75]):[N:44]([H:76]):[C:45](=[N:46][H:77]):[N:47]:[C:48]:2:3)([H:78])[C@@:49]([O:50][H:79])([H:80])[C@@:51]1([O:52][H:81])[H:82])([H:83])[H:84].[H][O:55][H:91]>>[H][O:25][P:22]([O:21][C@:20]1([H:85])[C@:17]([C:18]([O:19][H:65])([H:66])[H:67])([H:68])[O:16][C@@:15]([N:14]2:[C:6]3:[N:5]:[C:4]([N:2]([C:1]([H:88])([H:89])[H:90])[C:3]([H:56])([H:57])[H:58]):[N:10]([H:59]):[C:8](=[O:9]):[C:7]:3:[N+:11]([C:12]([H:60])([H:61])[H:62]):[C:13]:2[H:63])([H:64])[C@@:53]1([O:54][H:86])[H:87])(=[O:23])[O:24][P:26](=[O:27])([O:28][H:70])[O:55][H:91].[H][O:29][P:30](=[O:31])([O:32][H:71])[O:33][C:34]([C@@:35]1([H:72])[O:36][C@@:37]([N:38]2:[C:39]([H:73]):[N:40]:[C:41]3:[C:42]([N:43]([H:74])[H:75]):[N:44]([H:76]):[C:45](=[N:46][H:77]):[N:47]:[C:48]:2:3)([H:78])[C@@:49]([O:50][H:79])([H:80])[C@@:51]1([O:52][H:81])[H:82])([H:83])[H:84]
Derived Operators
EVODEX.1-E282 - Reaction Operator E
[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]-[#15:24]-[#8:26]-[H].[#8:32](-[H:49])-[H]>>[#15:16]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:26]-[#15:24]-[#8:23]-[H])-[#8:32]-[H:49]
EVODEX.1-C718 - Reaction Operator C
([H]-[#8:26].[#8:23]-[#15:20]-[#8:19]).[H]-[#8:32]>>[H]-[#8:19].([H]-[#8:23].[#8:26]-[#15:20]-[#8:32])
EVODEX.1-N885 - Reaction Operator N
[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]-[H:49]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]-[H:49]
EVODEX.1-Em696 - Reaction Operator Em
[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]
EVODEX.1-Cm282 - Reaction Operator Cm
([H]-[#8:26].[#8:23]-[#15:20]-[#8:19]).[H]-[#8:32]>>[H]-[#8:19].([H]-[#8:23].[#8:26]-[#15:20]-[#8:32])
EVODEX.1-Nm625 - Reaction Operator Nm
[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]
Source Full Reactions
EVODEX.1-R6630
[H][O:24][P:22]([O:21][C@:20]1([H:85])[C@:17]([C:18]([O:19][H:65])([H:66])[H:67])([H:68])[O:16][C@@:15]([N:14]2:[C:6]3:[N:5]:[C:4]([N:2]([C:1]([H:88])([H:89])[H:90])[C:3]([H:56])([H:57])[H:58]):[N:10]([H:59]):[C:8](=[O:9]):[C:7]:3:[N+:11]([C:12]([H:60])([H:61])[H:62]):[C:13]:2[H:63])([H:64])[C@@:53]1([O:54][H:86])[H:87])(=[O:23])[O:25][P:26](=[O:27])([O:28][H:70])[O:29][P:30](=[O:31])([O:32][H:71])[O:33][C:34]([C@@:35]1([H:72])[O:36][C@@:37]([N:38]2:[C:39]([H:73]):[N:40]:[C:41]3:[C:42]([N:43]([H:74])[H:75]):[N:44]([H:76]):[C:45](=[N:46][H:77]):[N:47]:[C:48]:2:3)([H:78])[C@@:49]([O:50][H:79])([H:80])[C@@:51]1([O:52][H:81])[H:82])([H:83])[H:84].[H][O:55][H:91]>>[H][O:25][P:22]([O:21][C@:20]1([H:85])[C@:17]([C:18]([O:19][H:65])([H:66])[H:67])([H:68])[O:16][C@@:15]([N:14]2:[C:6]3:[N:5]:[C:4]([N:2]([C:1]([H:88])([H:89])[H:90])[C:3]([H:56])([H:57])[H:58]):[N:10]([H:59]):[C:8](=[O:9]):[C:7]:3:[N+:11]([C:12]([H:60])([H:61])[H:62]):[C:13]:2[H:63])([H:64])[C@@:53]1([O:54][H:86])[H:87])(=[O:23])[O:24][P:26](=[O:27])([O:28][H:70])[O:55][H:91].[H][O:29][P:30](=[O:31])([O:32][H:71])[O:33][C:34]([C@@:35]1([H:72])[O:36][C@@:37]([N:38]2:[C:39]([H:73]):[N:40]:[C:41]3:[C:42]([N:43]([H:74])[H:75]):[N:44]([H:76]):[C:45](=[N:46][H:77]):[N:47]:[C:48]:2:3)([H:78])[C@@:49]([O:50][H:79])([H:80])[C@@:51]1([O:52][H:81])[H:82])([H:83])[H:84]