Acetic Acid → HCID 9831862, compound
Reaction equation
[C:66]([OH:67])(=[O:68])[CH3:69].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]1[CH2:12][c:13]1[cH:14][n:15]([CH2:31][c:32]2[n:33][c:34]3[cH:35][c:36]([Cl:42])[cH:37][cH:38][c:39]3[cH:40][cH:41]2)[c:16]2[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[O:25][CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:20][c:21]12.[CH3:43][c:44]1[c:45]([S:50](=[O:51])(=[O:52])[NH2:53])[cH:46][cH:47][cH:48][cH:49]1.[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH3:73][N:74]([c:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1)[CH3:81].[Cl:70][CH2:71][Cl:72].[ClH:54]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:53][S:50]([c:45]2[c:44]([CH3:43])[cH:49][cH:48][cH:47][cH:46]2)(=[O:51])=[O:52])[cH:9][cH:10][c:11]1[CH2:12][c:13]1[cH:14][n:15]([CH2:31][c:32]2[n:33][c:34]3[cH:35][c:36]([Cl:42])[cH:37][cH:38][c:39]3[cH:40][cH:41]2)[c:16]2[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[O:25][CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:20][c:21]12Participants
8
Sources & evidence
- ORD record
- ord-4b587f61071f4be5af5e2c260cdcc084
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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