SMIRKS
[O:1]=[C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[O:14][P:15](=[O:16])([O:17][H:46])[O:18][P:19](=[O:20])([O:21][H:47])[O:22][H:48])([H:49])[H:50])([H:51])[C@:23]([O:24][H:52])([H:53])[C@:25]2([O:26][H:54])[H:55]):[C:27](=[O:28]):[N:29]:1[H:56].[H][O:30][C@@:31]1([H:57])[C@@:32]([O:33][H:58])([H:59])[C@:34]([O:35][H:60])([H:61])[C@@:36]([O:37][H:62])([H:63])[C@:38]([O:39][H:64])([H:65])[C@:40]1([O:41][H:66])[H:67]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2](=[O:1]):[N:29]([H:56]):[C:27]:2=[O:28])([H:44])[C@@:25]([O:26][H:54])([H:55])[C@@:23]1([O:24][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:13][H:45])(=[O:16])[O:17][H:46].[P:19](=[O:20])([O:21][H:47])([O:22][H:48])[O:30][C@:31]1([H:57])[C@:32]([O:33][H:58])([H:59])[C@@:34]([O:35][H:60])([H:61])[C@:36]([O:37][H:62])([H:63])[C@@:38]([O:39][H:64])([H:65])[C@@:40]1([O:41][H:66])[H:67]
Derived Operators
EVODEX.1-E333 - Reaction Operator E
[#15:27]-[#8:30]-[#15:31](=[#8:32])(-[#8:33])-[#8:34].[#8:73](-[#6@@:74]1(-[H:166])-[#6@@:75](-[#8:76])(-[H:168])-[#6@:77](-[#8:78])(-[H:170])-[#6@@:79](-[#8:80])(-[H:172])-[#6@:81](-[#8:82])(-[H:174])-[#6@:83]-1(-[#8:84])-[H:176])-[H]>>[#15:27]-[#8:30]-[H].[#15:31](=[#8:32])(-[#8:33])(-[#8:34])-[#8:73]-[#6@:74]1(-[H:166])-[#6@:75](-[#8:76])(-[H:168])-[#6@@:77](-[#8:78])(-[H:170])-[#6@:79](-[#8:80])(-[H:172])-[#6@@:81](-[#8:82])(-[H:174])-[#6@@:83]-1(-[#8:84])-[H:176]
EVODEX.1-C980 - Reaction Operator C
([#8:18]-[#15:19].[#6@:23]-[#6@:25]).[H]-[#8:30]-[#6@:31]1-[#6@@:32]-[#6@:34]-[#6@@:36]-[#6@:38]-[#6@:40]-1>>([H]-[#8:18].[#6@@:25]-[#6@@:23]).[#15:19]-[#8:30]-[#6@@:31]1-[#6@:32]-[#6@@:34]-[#6@:36]-[#6@@:38]-[#6@@:40]-1
EVODEX.1-N1217 - Reaction Operator N
([#15:15]-[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:22].[#8:24]-[#6@@:23](-[#6@@:8])(-[H:53])-[#6@:25](-[#6@:6])(-[#8:26])-[H:55]).[H]-[#8:30]-[#6@@:31]1(-[H:58])-[#6@@:32](-[#8:33])(-[H:60])-[#6@:34](-[#8:35])(-[H:62])-[#6@@:36](-[#8:37])(-[H:64])-[#6@:38](-[#8:39])(-[H:66])-[#6@:40]-1(-[#8:41])-[H:68]>>([H]-[#8:18]-[#15:15].[#8:26]-[#6@:25](-[#6@:6])(-[H:55])-[#6@@:23](-[#6@@:8])(-[#8:24])-[H:53]).[#15:19](=[#8:20])(-[#8:21])(-[#8:22])-[#8:30]-[#6@:31]1(-[H:58])-[#6@:32](-[#8:33])(-[H:60])-[#6@@:34](-[#8:35])(-[H:62])-[#6@:36](-[#8:37])(-[H:64])-[#6@@:38](-[#8:39])(-[H:66])-[#6@@:40]-1(-[#8:41])-[H:68]
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-R4101
[O:1]=[C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[O:14][P:15](=[O:16])([O:17][H:46])[O:18][P:19](=[O:20])([O:21][H:47])[O:22][H:48])([H:49])[H:50])([H:51])[C@:23]([O:24][H:52])([H:53])[C@:25]2([O:26][H:54])[H:55]):[C:27](=[O:28]):[N:29]:1[H:56].[H][O:30][C@@:31]1([H:57])[C@@:32]([O:33][H:58])([H:59])[C@:34]([O:35][H:60])([H:61])[C@@:36]([O:37][H:62])([H:63])[C@:38]([O:39][H:64])([H:65])[C@:40]1([O:41][H:66])[H:67]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2](=[O:1]):[N:29]([H:56]):[C:27]:2=[O:28])([H:44])[C@@:25]([O:26][H:54])([H:55])[C@@:23]1([O:24][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:13][H:45])(=[O:16])[O:17][H:46].[P:19](=[O:20])([O:21][H:47])([O:22][H:48])[O:30][C@:31]1([H:57])[C@:32]([O:33][H:58])([H:59])[C@@:34]([O:35][H:60])([H:61])[C@:36]([O:37][H:62])([H:63])[C@@:38]([O:39][H:64])([H:65])[C@@:40]1([O:41][H:66])[H:67]