SMIRKS
[N:1]([C@@:2]([C:3]([C:4]([S:5](=[O:6])(=[O:7])[O:8][H:53])([H:54])[H:55])([H:56])[H:57])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:58])([H:59])[H:60])([H:61])[H:62])([C:18](=[O:19])[O:20][H:63])[H:64])[H:65])[H:66])([H:67])[H:68].[N:21]([C:22]1:[N:23]:[C:24]([H:69]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:70]):[N:30]:2[C@:31]1([H:71])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:72])[O:39][P:40](=[O:41])([O:42][H:73])[O:43][H:74])([H:75])[H:76])([H:77])[C@:44]([O:45][H:78])([H:79])[C@:46]1([O:47][H:80])[H:81])([H:82])[H:83]>>[H][N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:58])([H:59])[H:60])([H:61])[H:62])([C:18](=[O:19])[O:20][H:63])[H:64])[H:65].[N:1]([C@@:2]([C:3]([C:4]([S:5](=[O:6])(=[O:7])[O:8][H:53])([H:54])[H:55])([H:56])[H:57])([C:9](=[O:10])[O:42][H:73])[H:66])([H:67])[H:68].[H]OP(=O)(O[H])O[P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:77])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:69]):[N:23]:[C:22]([N:21]([H:82])[H:83]):[C:27]:3:[N:28]:[C:29]:2[H:70])([H:71])[C@@:46]([O:47][H:80])([H:81])[C@@:44]1([O:45][H:78])[H:79])([H:75])[H:76])(=[O:37])[O:38][H:72])(=[O:41])[O:43][H:74]
Derived Operators
EVODEX.1-F305 - Elemental Balance
| P | 1 |
| O | 4 |
| H | 3 |
EVODEX.1-M26 - Mass Difference
97.97689
EVODEX.1-E1078 - Reaction Operator E
[#8:37]-[#15:38](=[#8:39])(-[#8:40]-[H:55])-[#8:41].[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#6@:6])-[H:78]>>[#8:37]-[#15:38](=[#8:39])(-[#8:41])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#6:2]-[#6:3](=[#8:4])-[#8:40]-[H:55].[#7:5](-[#6@:6])(-[H:78])-[H]
EVODEX.1-C802 - Reaction Operator C
([#15:61]-[#8:63].[#6@:65]-[#6@:67]).[#6:20]-[#7:22]>>[H]-[#7:22].([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:61].[#6@@:67]-[#6@@:65]).[#6:20]-[#8:63]
EVODEX.1-N1013 - Reaction Operator N
([#8:60]-[#15:61](=[#8:62])(-[#8:63]-[H:78])-[#8:64].[#8:66]-[#6@@:65](-[#6@@:54])(-[H:84])-[#6@:67](-[#6@:52])(-[#8:68])-[H:86]).[#6:19]-[#6:20](=[#8:21])-[#7:22](-[#6@@:23])-[H:99]>>[H]-[#7:22](-[#6@@:23])-[H:99].([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:61](-[#8:60])(=[#8:62])-[#8:64].[#8:68]-[#6@:67](-[#6@:52])(-[H:86])-[#6@@:65](-[#6@@:54])(-[#8:66])-[H:84]).[#6:19]-[#6:20](=[#8:21])-[#8:63]-[H:78]
EVODEX.1-Em803 - Reaction Operator Em
[#8:60]-[#15:61](=[#8:62])(-[#8:63])-[#8:64].[#6:19]-[#6:20](=[#8:21])-[#7:22]-[#6:23]>>[H]-[#7:22]-[#6:23].[#15]-[#8]-[#15:61](-[#8:60])(=[#8:62])-[#8:64].[#6:19]-[#6:20](=[#8:21])-[#8:63]
EVODEX.1-Cm322 - Reaction Operator Cm
[#15:61]-[#8:63].[#6:20]-[#7:22]>>[H]-[#7:22].[#8]-[#15:61].[#6:20]-[#8:63]
EVODEX.1-Nm719 - Reaction Operator Nm
[#8:60]-[#15:61](=[#8:62])(-[#8:63])-[#8:64].[#6:19]-[#6:20](=[#8:21])-[#7:22]-[#6:23]>>[H]-[#7:22]-[#6:23].[#15]-[#8]-[#15:61](-[#8:60])(=[#8:62])-[#8:64].[#6:19]-[#6:20](=[#8:21])-[#8:63]
Source Full Reactions
EVODEX.1-R7604
[N:1]([C@@:2]([C:3]([C:4]([S:5](=[O:6])(=[O:7])[O:8][H:53])([H:54])[H:55])([H:56])[H:57])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:58])([H:59])[H:60])([H:61])[H:62])([C:18](=[O:19])[O:20][H:63])[H:64])[H:65])[H:66])([H:67])[H:68].[N:21]([C:22]1:[N:23]:[C:24]([H:69]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:70]):[N:30]:2[C@:31]1([H:71])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:72])[O:39][P:40](=[O:41])([O:42][H:73])[O:43][H:74])([H:75])[H:76])([H:77])[C@:44]([O:45][H:78])([H:79])[C@:46]1([O:47][H:80])[H:81])([H:82])[H:83].[H][O:50][P:49](=[O:48])([O:51][H:85])[O:52][H:86]>>[H][N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:58])([H:59])[H:60])([H:61])[H:62])([C:18](=[O:19])[O:20][H:63])[H:64])[H:65].[N:1]([C@@:2]([C:3]([C:4]([S:5](=[O:6])(=[O:7])[O:8][H:53])([H:54])[H:55])([H:56])[H:57])([C:9](=[O:10])[O:42][H:73])[H:66])([H:67])[H:68].[N:21]([C:22]1:[N:23]:[C:24]([H:69]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:70]):[N:30]:2[C@:31]1([H:71])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:72])[O:39][P:40](=[O:41])([O:43][H:74])[O:50][P:49](=[O:48])([O:51][H:85])[O:52][H:86])([H:75])[H:76])([H:77])[C@:44]([O:45][H:78])([H:79])[C@:46]1([O:47][H:80])[H:81])([H:82])[H:83]