Acetic Acid → HCID 178445256, compound
Reaction equation
[BrH:40].[CH2:1]([O:2][C:3](=[O:4])[NH:11][CH:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:20](=[O:21])[NH:22][CH:23]([CH2:24][c:25]1[cH:26][nH:27][cH:28][n:29]1)[C:30](=[O:31])[NH:32][CH:33]([CH2:34][CH:35]([CH3:36])[CH3:37])[CH2:38][OH:39])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:82][CH2:83][O:84][CH2:85][CH3:86].[CH3:87][C:88](=[O:89])[OH:90].[CH:67]1([N:68]=[C:69]=[N:70][CH:71]2[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]2)[CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]1.[N+:41](=[O:42])([O-:43])[c:44]1[c:45]([S:50][S:51][CH2:52][CH2:53][C:54](=[O:55])[OH:56])[n:46][cH:47][cH:48][cH:49]1.[OH:57][n:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[NH:11]([CH:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:20](=[O:21])[NH:22][CH:23]([CH2:24][c:25]1[cH:26][nH:27][cH:28][n:29]1)[C:30](=[O:31])[NH:32][CH:33]([CH2:34][CH:35]([CH3:36])[CH3:37])[CH2:38][OH:39])[C:54]([CH2:53][CH2:52][S:51][S:50][c:45]1[c:44]([N+:41](=[O:42])[O-:43])[cH:49][cH:48][cH:47][n:46]1)=[O:56]Participants
8
Sources & evidence
- ORD record
- ord-95d7949eda914269b4cee98b6ffc0e1c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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