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:49](=[O:50])[C:51]([C:52](=[O:53])[C:54]2:[C:55]([H:83]):[C:56]([H:84]):[C:57]([H:85]):[C:58]([H:86]):[C:59]:2[N:60]([H:87])[H:88])([H:89])[H:90])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:61][H:105]>>[C:49](=[O:50])([C:51]([C:52](=[O:53])[C:54]1:[C:55]([H:83]):[C:56]([H:84]):[C:57]([H:85]):[C:58]([H:86]):[C:59]:1[N:60]([H:87])[H:88])([H:89])[H:90])[O:61][H:105]
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-E538 - Reaction Operator E
[#6](-[#6](-[#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])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:49](=[#8:50])-[#6:51])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:55](-[H:99])-[H]>>[#6:49](=[#8:50])(-[#6:51])-[#8:55]-[H:99]
EVODEX.1-C5 - Reaction Operator C
[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]-[#6:49])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:61]>>[#6:49]-[#8:61]
EVODEX.1-N654 - Reaction Operator N
[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]-[#6:49](=[#8:50])-[#6:51])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:61]-[H:105]>>[#6:49](=[#8:50])(-[#6:51])-[#8:61]-[H:105]
EVODEX.1-Em616 - Reaction Operator Em
[#6]-[#16]-[#6:49](=[#8:50])-[#6:51].[H]-[#8:61]>>[#6:49](=[#8:50])(-[#6:51])-[#8:61]
EVODEX.1-Nm551 - Reaction Operator Nm
[#6]-[#16]-[#6:49](=[#8:50])-[#6:51].[H]-[#8:61]>>[#6:49](=[#8:50])(-[#6:51])-[#8:61]
Source Full Reactions
EVODEX.1-R5004
[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C:4]([O:5][P:6](=[O:7])([O:8][H:65])[O:9][P:10](=[O:11])([O:12][H:66])[O:13][C:14]([C@@:15]1([H:67])[O:16][C@:17]([N:18]2:[C:19]([H:68]):[N:20]:[C:21]3:[C:22]([N:23]([H:69])[H:70]):[N:24]:[C:25]([H:71]):[N:26]:[C:27]:2:3)([H:72])[C@@:28]([O:29][H:73])([H:74])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:75])[O:35][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[C@@:36]([O:37][H:82])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51]([C:52](=[O:53])[C:54]1:[C:55]([H:83]):[C:56]([H:84]):[C:57]([H:85]):[C:58]([H:86]):[C:59]:1[N:60]([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])[H:95])([H:96])[H:97])([H:98])[H:99])[H:100])[H:101])([H:102])([H:103])[H:104].[H][O:61][H:105]>>[C:49](=[O:50])([C:51]([C:52](=[O:53])[C:54]1:[C:55]([H:83]):[C:56]([H:84]):[C:57]([H:85]):[C:58]([H:86]):[C:59]:1[N:60]([H:87])[H:88])([H:89])[H:90])[O:61][H:105].[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:102])([H:103])[H:104])([C:3]([H:62])([H:63])[H:64])[C:4]([O:5][P:6](=[O:7])([O:8][H:65])[O:9][P:10](=[O:11])([O:12][H:66])[O:13][C:14]([C@@:15]1([H:67])[O:16][C@:17]([N:18]2:[C:19]([H:68]):[N:20]:[C:21]3:[C:22]([N:23]([H:69])[H:70]):[N:24]:[C:25]([H:71]):[N:26]:[C:27]:2:3)([H:72])[C@@:28]([O:29][H:73])([H:74])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:75])[O:35][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:37][H:82])[H:101])=[O:39])[H:100])([H:98])[H:99])([H:96])[H:97])=[O:44])[H:95])([H:93])[H:94])([H:91])[H:92]