SMIRKS
[H][O:34][C:33](=[O:32])[C:35]([C:36]([C:37]([C:38]([C:39]1([H:61])[C:40]([H:62])([H:63])[C:41]([H:64])([H:65])[Se:42][Se:43]1)([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:34][C:33](=[O:32])[C:35]([C:36]([C:37]([C:38]([C:39]1([H:61])[C:40]([H:62])([H:63])[C:41]([H:64])([H:65])[Se:42][Se:43]1)([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73]
Derived Operators
EVODEX.1-F116 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M34 - Mass Difference
329.05266
EVODEX.1-E732 - Reaction Operator E
[#6:33]-[#8:34]-[H]>>[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:34]-[#6:33])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C128 - Reaction Operator C
[H]-[#8:27]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]
EVODEX.1-N584 - Reaction Operator N
[H]-[#8:34]-[#6:33]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R7546
[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][P:20](=[O:21])([O:22][H:48])[O:23][P:24](=[O:25])([O:26][H:49])[O:27][H:50])([H:51])[H:52])([H:53])[C@:28]([O:29][H:54])([H:55])[C@:30]1([O:31][H:56])[H:57])([H:58])[H:59].[H][O:34][C:33](=[O:32])[C:35]([C:36]([C:37]([C:38]([C:39]1([H:61])[C:40]([H:62])([H:63])[C:41]([H:64])([H:65])[Se:42][Se:43]1)([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73]>>[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:34][C:33](=[O:32])[C:35]([C:36]([C:37]([C:38]([C:39]2([H:61])[C:40]([H:62])([H:63])[C:41]([H:64])([H:65])[Se:42][Se:43]2)([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:51])[H:52])([H:53])[C@:28]([O:29][H:54])([H:55])[C@:30]1([O:31][H:56])[H:57])([H:58])[H:59].[H][O:19][P:20](=[O:21])([O:22][H:48])[O:23][P:24](=[O:25])([O:26][H:49])[O:27][H:50]