SMIRKS
[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:67]):[N:15]([H:68]):[C:16]2:[C:17]([H:69]):[C:18]([H:70]):[C:19]([H:71]):[C:20]([H:72]):[C:21]:1:2)([H:73])[H:74])([C:22](=[O:23])[O:24][H:75])[H:76])([H:77])[H:78].[N:25]([C:26]1:[N:27]:[C:28]([H:79]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:80]):[N:34]:2[C@:35]1([H:81])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:82])[O:43][P:44](=[O:45])([O:46][H:83])[O:47][P:48](=[O:49])([O:50][H:84])[O:51][H:85])([H:86])[H:87])([H:88])[C@:52]([O:53][H:89])([H:90])[C@:54]1([O:55][H:91])[H:92])([H:93])[H:94]>>[H]OC(=O)[C@@]([H])(N([H])[C:22]([C@@:11]([N:10]([H:77])[H:78])([C:12]([C:13]1:[C:14]([H:67]):[N:15]([H:68]):[C:16]2:[C:17]([H:69]):[C:18]([H:70]):[C:19]([H:71]):[C:20]([H:72]):[C:21]:1:2)([H:73])[H:74])[H:76])=[O:23])C([H])([H])C([H])([H])SC([H])([H])[H].[O:24]([P:44]([O:43][P:40]([O:39][C:38]([C@@:37]1([H:88])[O:36][C@:35]([N:34]2:[C:30]3:[N:29]:[C:28]([H:79]):[N:27]:[C:26]([N:25]([H:93])[H:94]):[C:31]:3:[N:32]:[C:33]:2[H:80])([H:81])[C@@:54]([O:55][H:91])([H:92])[C@@:52]1([O:53][H:89])[H:90])([H:86])[H:87])(=[O:41])[O:42][H:82])(=[O:45])[O:46][H:83])[H:75].[H][O:47][P:48](=[O:49])([O:50][H:84])[O:51][H:85]
Derived Operators
EVODEX.1-F174 - Elemental Balance
| O | 2 |
| C | 5 |
| S | 1 |
| N | 1 |
| H | 11 |
EVODEX.1-M265 - Mass Difference
149.05113
EVODEX.1-E844 - Reaction Operator E
[#6:17](-[#6@:15])(=[#8:18])-[#8:19]-[H:64].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:83])-[#6@:49](-[#6@:30])(-[#8:50])-[H:85])>>[#6](-[#16]-[#6](-[#6](-[#6@](-[#7](-[#6:17](-[#6@:15])=[#8:18])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].([#8:19](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:64].[#8:50]-[#6@:49](-[#6@:30])(-[H:85])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:83]).[#8:42](-[#15:43])-[H]
EVODEX.1-C839 - Reaction Operator C
[#6:15]-[#8:17].([#15:37]-[#8:40].[#6@:45]-[#6@:47])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:15])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H].([#8:17]-[#15:37].[#6@@:47]-[#6@@:45]).[H]-[#8:40]
EVODEX.1-N1050 - Reaction Operator N
[#6:15](-[#6@:13])(=[#8:16])-[#8:17]-[H:52].([#8:36]-[#15:37](=[#8:38])(-[#8:39])-[#8:40]-[#15:41].[#8:46]-[#6@@:45](-[#6@@:30])(-[H:80])-[#6@:47](-[#6@:28])(-[#8:48])-[H:82])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:15](-[#6@:13])=[#8:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H].([#8:17](-[#15:37](-[#8:36])(=[#8:38])-[#8:39])-[H:52].[#8:48]-[#6@:47](-[#6@:28])(-[H:82])-[#6@@:45](-[#6@@:30])(-[#8:46])-[H:80]).[H]-[#8:40]-[#15:41]
EVODEX.1-Em24 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
EVODEX.1-Cm38 - Reaction Operator Cm
[#6:42]-[#8:44].[#15:72]-[#8:75]>>[#7]-[#6:42].[#8:44]-[#15:72].[H]-[#8:75]
EVODEX.1-Nm24 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7811
[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([H:60])[H:61])([C:7](=[O:8])[O:9][H:58])[H:59])[H:56].[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:67]):[N:15]([H:68]):[C:16]2:[C:17]([H:69]):[C:18]([H:70]):[C:19]([H:71]):[C:20]([H:72]):[C:21]:1:2)([H:73])[H:74])([C:22](=[O:23])[O:24][H:75])[H:76])([H:77])[H:78].[N:25]([C:26]1:[N:27]:[C:28]([H:79]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:80]):[N:34]:2[C@:35]1([H:81])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:82])[O:43][P:44](=[O:45])([O:46][H:83])[O:47][P:48](=[O:49])([O:50][H:84])[O:51][H:85])([H:86])[H:87])([H:88])[C@:52]([O:53][H:89])([H:90])[C@:54]1([O:55][H:91])[H:92])([H:93])[H:94]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:22]([C@@:11]([N:10]([H:77])[H:78])([C:12]([C:13]1:[C:14]([H:67]):[N:15]([H:68]):[C:16]2:[C:17]([H:69]):[C:18]([H:70]):[C:19]([H:71]):[C:20]([H:72]):[C:21]:1:2)([H:73])[H:74])[H:76])=[O:23])[H:56])([C:7](=[O:8])[O:9][H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[O:24]([P:44]([O:43][P:40]([O:39][C:38]([C@@:37]1([H:88])[O:36][C@:35]([N:34]2:[C:30]3:[N:29]:[C:28]([H:79]):[N:27]:[C:26]([N:25]([H:93])[H:94]):[C:31]:3:[N:32]:[C:33]:2[H:80])([H:81])[C@@:54]([O:55][H:91])([H:92])[C@@:52]1([O:53][H:89])[H:90])([H:86])[H:87])(=[O:41])[O:42][H:82])(=[O:45])[O:46][H:83])[H:75].[H][O:47][P:48](=[O:49])([O:50][H:84])[O:51][H:85]