SMIRKS
[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:2]([C:1]([H:93])([H:94])[H:95])=[O:3])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][C:52]([C@:53]([N:54]([H:96])[H:97])([C:55](=[O:56])[O:57][H:98])[H:99])([H:100])[H:101]>>[C:1]([C:2](=[O:3])[C:52]([C@:53]([N:54]([H:96])[H:97])([C:55](=[O:56])[O:57][H:98])[H:99])([H:100])[H:101])([H:93])([H:94])[H:95]
Derived Operators
EVODEX.1-F49 - Elemental Balance
| P | -3 |
| O | -16 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -36 |
EVODEX.1-M7 - Mass Difference
-767.1154799999999
EVODEX.1-E541 - Reaction Operator E
[#6:1](-[#6:2])(-[H:139])(-[H:140])-[H].[#6:53]-[#6:54](=[#8:55])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:1](-[#6:2])(-[#6:54](-[#6:53])=[#8:55])(-[H:139])-[H:140]
EVODEX.1-C115 - Reaction Operator C
[H]-[#6:1].[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:30])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#6:1]-[#6:30]
EVODEX.1-N338 - Reaction Operator N
[H]-[#6:1](-[#6:2])(-[H:111])-[H:112].[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:30](-[#6:29])=[#8:31])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#6:1](-[#6:2])(-[#6:30](-[#6:29])=[#8:31])(-[H:111])-[H:112]
EVODEX.1-Em437 - Reaction Operator Em
[H]-[#6:1]-[#6:2].[#6]-[#16]-[#6:30](-[#6:29])=[#8:31]>>[#6:1](-[#6:2])-[#6:30](-[#6:29])=[#8:31]
EVODEX.1-Nm390 - Reaction Operator Nm
[H]-[#6:1]-[#6:2].[#6]-[#16]-[#6:30](-[#6:29])=[#8:31]>>[#6:1](-[#6:2])-[#6:30](-[#6:29])=[#8:31]
Source Full Reactions
EVODEX.1-R2279
[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:58])([C:17]([C:18]([H:59])([H:60])[H:61])([C:19]([H:62])([H:63])[H:64])[C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]1([H:67])[O:32][C@:33]([N:34]2:[C:35]([H:68]):[N:36]:[C:37]3:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:2:3)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:75])[O:51][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])([H:94])[H:95].[H][C:52]([C@:53]([N:54]([H:96])[H:97])([C:55](=[O:56])[O:57][H:98])[H:99])([H:100])[H:101]>>[C:1]([C:2](=[O:3])[C:52]([C@:53]([N:54]([H:96])[H:97])([C:55](=[O:56])[O:57][H:98])[H:99])([H:100])[H:101])([H:93])([H:94])[H:95].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:58])([C:17]([C:18]([H:59])([H:60])[H:61])([C:19]([H:62])([H:63])[H:64])[C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]1([H:67])[O:32][C@:33]([N:34]2:[C:35]([H:68]):[N:36]:[C:37]3:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:2:3)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:75])[O:51][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92]