SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([C:14](=[O:15])[C@:16]([C:17]([C:18]2:[C:19]([H:68]):[C:20]([H:69]):[C:21]([O:22][H:70]):[C:23]([H:71]):[C:24]:2[H:72])([H:73])[H:74])([N:25]([C:26](=[O:27])[C@:28]([C:29]([S:30][H:75])([H:76])[H:77])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36]([C:37]([N:38]([H:78])[H:79])=[O:39])([H:80])[H:81])([H:82])[H:83])([N:40]([C:41](=[O:42])[C@@:43]([N:44]([H:84])[H:85])([C:45]([O:46][H:86])([H:87])[H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:68]):[C:20]([H:69]):[C:21]([O:22][H:70]):[C:23]([H:71]):[C:24]:1[H:72])([H:73])[H:74])([N:25]([C:26](=[O:27])[C@:28]([C:29]([S:30][H:75])([H:76])[H:77])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36]([C:37]([N:38]([H:78])[H:79])=[O:39])([H:80])[H:81])([H:82])[H:83])([N:40]([C:41](=[O:42])[C@@:43]([N:44]([H:84])[H:85])([C:45]([O:46][H:86])([H:87])[H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95]
Derived Operators
EVODEX.1-F535 - Elemental Balance
| O | -3 |
| C | -16 |
| N | -3 |
| H | -27 |
EVODEX.1-M507 - Mass Difference
-309.20541000000003
EVODEX.1-E1354 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:14](=[#8:15])-[#6@:16])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#6:14](=[#8:15])(-[#6@:16])-[#8]-[H]
EVODEX.1-C664 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:14]
EVODEX.1-N821 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14](=[#8:15])-[#6@:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:14](=[#8:15])-[#6@:16]
EVODEX.1-Em53 - Reaction Operator Em
[#6]-[#7](-[#6:2](-[#6:1])=[#8:3])-[#6]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3]
EVODEX.1-Nm60 - Reaction Operator Nm
[#6]-[#7](-[#6:2](-[#6:1])=[#8:3])-[#6]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3]
Source Full Reactions
EVODEX.1-R6073
[C:1]([C:2]([C@:3]([C:4]([H:58])([H:59])[H:60])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:61])[C:10]([H:62])([H:63])[C:11]([H:64])([H:65])[C:12]([H:66])([H:67])[N:13]1[C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:68]):[C:20]([H:69]):[C:21]([O:22][H:70]):[C:23]([H:71]):[C:24]:1[H:72])([H:73])[H:74])([N:25]([C:26](=[O:27])[C@:28]([C:29]([S:30][H:75])([H:76])[H:77])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36]([C:37]([N:38]([H:78])[H:79])=[O:39])([H:80])[H:81])([H:82])[H:83])([N:40]([C:41](=[O:42])[C@@:43]([N:44]([H:84])[H:85])([C:45]([O:46][H:86])([H:87])[H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[H:96])([C:47](=[O:48])[N:49]([C@:50]([C:51](=[O:52])[O:53][H:97])([C:54]([C:55]([H:98])([H:99])[H:100])([C:56]([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:57][H:114]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:68]):[C:20]([H:69]):[C:21]([O:22][H:70]):[C:23]([H:71]):[C:24]:1[H:72])([H:73])[H:74])([N:25]([C:26](=[O:27])[C@:28]([C:29]([S:30][H:75])([H:76])[H:77])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36]([C:37]([N:38]([H:78])[H:79])=[O:39])([H:80])[H:81])([H:82])[H:83])([N:40]([C:41](=[O:42])[C@@:43]([N:44]([H:84])[H:85])([C:45]([O:46][H:86])([H:87])[H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[O:57][H:114].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:111])([H:112])[H:113])([H:109])[H:110])([C:4]([H:58])([H:59])[H:60])[H:108])([C:47](=[O:48])[N:49]([C@:50]([C:51](=[O:52])[O:53][H:97])([C:54]([C:55]([H:98])([H:99])[H:100])([C:56]([H:101])([H:102])[H:103])[H:104])[H:105])[H:106])[H:107])[H:96])=[O:8])([H:61])[C:10]([H:62])([H:63])[C:11]([H:64])([H:65])[C:12]1([H:66])[H:67]