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:3]([C:2]([C:1]([H:111])([H:112])[H:113])([H:109])[H:110])=[O:4])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:65][C:64]([C@@:63]1([H:120])[O:62][C@:61]([O:60][C:59]2:[C:58]([H:115]):[C:57]([H:114]):[C:56]([N+:54](=[O:53])[O-:55]):[C:73]([H:128]):[C:72]:2[H:127])([H:116])[C@@:70]([O:71][H:125])([H:126])[C@:68]([O:69][H:123])([H:124])[C@:66]1([O:67][H:121])[H:122])([H:118])[H:119]>>[C:1]([C:2]([C:3](=[O:4])[O:65][C:64]([C@@:63]1([H:120])[O:62][C@:61]([O:60][C:59]2:[C:58]([H:115]):[C:57]([H:114]):[C:56]([N+:54](=[O:53])[O-:55]):[C:73]([H:128]):[C:72]:2[H:127])([H:116])[C@@:70]([O:71][H:125])([H:126])[C@:68]([O:69][H:123])([H:124])[C@:66]1([O:67][H:121])[H:122])([H:118])[H:119])([H:109])[H:110])([H:111])([H:112])[H:113]
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-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-N3 - 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]-[#6:12](-[#6:11])=[#8:13])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
EVODEX.1-Em48 - Reaction Operator Em
[#6]-[#16]-[#6:12](-[#6:11])=[#8:13].[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
EVODEX.1-Nm40 - Reaction Operator Nm
[#6]-[#16]-[#6:12](-[#6:11])=[#8:13].[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
Source Full Reactions
EVODEX.1-R2153
[C:1]([C:2]([C:3](=[O:4])[S:5][C:6]([C:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([C:14](=[O:15])[C@:16]([O:17][H:74])([C:18]([C:19]([H:75])([H:76])[H:77])([C:20]([H:78])([H:79])[H:80])[C:21]([O:22][P:23](=[O:24])([O:25][H:81])[O:26][P:27](=[O:28])([O:29][H:82])[O:30][C:31]([C@@:32]1([H:83])[O:33][C@:34]([N:35]2:[C:36]([H:84]):[N:37]:[C:38]3:[C:39]([N:40]([H:85])[H:86]):[N:41]:[C:42]([H:87]):[N:43]:[C:44]:2:3)([H:88])[C@@:45]([O:46][H:89])([H:90])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:91])[O:52][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:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])([H:112])[H:113].[H][O:65][C:64]([C@@:63]1([H:120])[O:62][C@:61]([O:60][C:59]2:[C:58]([H:115]):[C:57]([H:114]):[C:56]([N+:54](=[O:53])[O-:55]):[C:73]([H:128]):[C:72]:2[H:127])([H:116])[C@@:70]([O:71][H:125])([H:126])[C@:68]([O:69][H:123])([H:124])[C@:66]1([O:67][H:121])[H:122])([H:118])[H:119]>>[C:1]([C:2]([C:3](=[O:4])[O:65][C:64]([C@@:63]1([H:120])[O:62][C@:61]([O:60][C:59]2:[C:58]([H:115]):[C:57]([H:114]):[C:56]([N+:54](=[O:53])[O-:55]):[C:73]([H:128]):[C:72]:2[H:127])([H:116])[C@@:70]([O:71][H:125])([H:126])[C@:68]([O:69][H:123])([H:124])[C@:66]1([O:67][H:121])[H:122])([H:118])[H:119])([H:109])[H:110])([H:111])([H:112])[H:113].[H][S:5][C:6]([C:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([C:14](=[O:15])[C@:16]([O:17][H:74])([C:18]([C:19]([H:75])([H:76])[H:77])([C:20]([H:78])([H:79])[H:80])[C:21]([O:22][P:23](=[O:24])([O:25][H:81])[O:26][P:27](=[O:28])([O:29][H:82])[O:30][C:31]([C@@:32]1([H:83])[O:33][C@:34]([N:35]2:[C:36]([H:84]):[N:37]:[C:38]3:[C:39]([N:40]([H:85])[H:86]):[N:41]:[C:42]([H:87]):[N:43]:[C:44]:2:3)([H:88])[C@@:45]([O:46][H:89])([H:90])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:91])[O:52][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:105])[H:106])([H:107])[H:108]