SMIRKS
[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])([C:4]([O:5][P:6](=[O:7])([O:8][H:59])[O:9][H:60])([H:61])[H:62])[C@@:10]([O:11][H:63])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:64])([H:65])[H:66])([H:67])[H:68])[H:69])[H:70])([H:71])([H:72])[H:73].[N:27]([C:28]1:[C:29]([H:81]):[C:30]([H:82]):[N:31]([C@:32]2([H:83])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:84])[O:40][P:41](=[O:42])([O:43][H:85])[O:44][P:45](=[O:46])([O:47][H:86])[O:48][H:87])([H:88])[H:89])([H:90])[C@:49]([O:50][H:91])([H:92])[C@:51]2([O:52][H:93])[H:94]):[C:53](=[O:54]):[N:55]:1)([H:95])[H:96]>>[H]OC(=O)[C@@]([H])(N([H])[C:17]([C:16]([C:15]([N:14]([C:12]([C@@:10]([C:2]([C:1]([H:71])([H:72])[H:73])([C:3]([H:56])([H:57])[H:58])[C:4]([O:5][P:6](=[O:7])([O:8][H:59])[O:9][H:60])([H:61])[H:62])([O:11][H:63])[H:70])=[O:13])[H:69])([H:67])[H:68])([H:65])[H:66])=[O:18])C([H])([H])S[H].[O:19]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:90])[O:33][C@:32]([N:31]2:[C:30]([H:82]):[C:29]([H:81]):[C:28]([N:27]([H:95])[H:96]):[N:55]:[C:53]:2=[O:54])([H:83])[C@@:51]([O:52][H:93])([H:94])[C@@:49]1([O:50][H:91])[H:92])([H:88])[H:89])(=[O:38])[O:39][H:84])(=[O:42])[O:43][H:85])[H:64].[H][O:44][P:45](=[O:46])([O:47][H:86])[O:48][H:87]
Derived Operators
EVODEX.1-F90 - Elemental Balance
| O | 2 |
| C | 3 |
| S | 1 |
| N | 1 |
| H | 7 |
EVODEX.1-M227 - Mass Difference
121.01981
EVODEX.1-E662 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:107].([#8:70]-[#15:71](=[#8:72])(-[#8:73])-[#8:74]-[#15:75].[#8:80]-[#6@@:79](-[#6@@:64])(-[H:132])-[#6@:81](-[#6@:62])(-[#8:82])-[H:134])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[#16]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:71](-[#8:70])(=[#8:72])-[#8:73])-[H:107].[#8:82]-[#6@:81](-[#6@:62])(-[H:134])-[#6@@:79](-[#6@@:64])(-[#8:80])-[H:132]).[#8:74](-[#15:75])-[H]
EVODEX.1-C808 - Reaction Operator C
[#6:17]-[#8:19].([#15:41]-[#8:44].[#6@:49]-[#6@:51])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17])-[#6](-[H])(-[H])-[#16]-[H].([#8:19]-[#15:41].[#6@@:51]-[#6@@:49]).[H]-[#8:44]
EVODEX.1-N1019 - Reaction Operator N
[#6:16]-[#6:17](=[#8:18])-[#8:19]-[H:64].([#8:40]-[#15:41](=[#8:42])(-[#8:43])-[#8:44]-[#15:45].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:92])-[#6@:51](-[#6@:32])(-[#8:52])-[H:94])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17](-[#6:16])=[#8:18])-[#6](-[H])(-[H])-[#16]-[H].([#8:19](-[#15:41](-[#8:40])(=[#8:42])-[#8:43])-[H:64].[#8:52]-[#6@:51](-[#6@:32])(-[H:94])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:92]).[H]-[#8:44]-[#15:45]
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-R7873
[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])([C:4]([O:5][P:6](=[O:7])([O:8][H:59])[O:9][H:60])([H:61])[H:62])[C@@:10]([O:11][H:63])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:64])([H:65])[H:66])([H:67])[H:68])[H:69])[H:70])([H:71])([H:72])[H:73].[H][N:20]([C@@:21]([C:22]([S:23][H:74])([H:75])[H:76])([C:24](=[O:25])[O:26][H:77])[H:78])[H:79].[N:27]([C:28]1:[C:29]([H:81]):[C:30]([H:82]):[N:31]([C@:32]2([H:83])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:84])[O:40][P:41](=[O:42])([O:43][H:85])[O:44][P:45](=[O:46])([O:47][H:86])[O:48][H:87])([H:88])[H:89])([H:90])[C@:49]([O:50][H:91])([H:92])[C@:51]2([O:52][H:93])[H:94]):[C:53](=[O:54]):[N:55]:1)([H:95])[H:96]>>[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])([C:4]([O:5][P:6](=[O:7])([O:8][H:59])[O:9][H:60])([H:61])[H:62])[C@@:10]([O:11][H:63])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[N:20]([C@@:21]([C:22]([S:23][H:74])([H:75])[H:76])([C:24](=[O:25])[O:26][H:77])[H:78])[H:79])([H:65])[H:66])([H:67])[H:68])[H:69])[H:70])([H:71])([H:72])[H:73].[O:19]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:90])[O:33][C@:32]([N:31]2:[C:30]([H:82]):[C:29]([H:81]):[C:28]([N:27]([H:95])[H:96]):[N:55]:[C:53]:2=[O:54])([H:83])[C@@:51]([O:52][H:93])([H:94])[C@@:49]1([O:50][H:91])[H:92])([H:88])[H:89])(=[O:38])[O:39][H:84])(=[O:42])[O:43][H:85])[H:64].[H][O:44][P:45](=[O:46])([O:47][H:86])[O:48][H:87]