Acetic Acid → HCID 178480125, compound
Reaction equation
[C:57]([O:58][BH-:59]([O:60][C:61](=[O:62])[CH3:63])[O:64][C:65](=[O:66])[CH3:67])(=[O:68])[CH3:69].[CH3:20][n:21]1[c:22](=[O:45])[c:23]2[cH:24][c:25](-[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:26](-[c:31]3[cH:32][cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38]3)[n:27][c:28]2[cH:29][cH:30]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][C:54](=[O:55])[OH:56].[ClH:1].[ClH:2].[NH:3]1[CH2:4][CH2:5][CH:6]([c:9]2[n:10][nH:11][c:12](-[c:14]3[n:15][cH:16][cH:17][cH:18][cH:19]3)[n:13]2)[CH2:7][CH2:8]1.[Na+:70].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75]>>[N:3]1([CH2:35][c:34]2[cH:33][cH:32][c:31](-[c:26]3[c:25](-[c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[cH:24][c:23]4[c:22](=[O:45])[n:21]([CH3:20])[cH:30][cH:29][c:28]4[n:27]3)[cH:38][cH:37]2)[CH2:4][CH2:5][CH:6]([c:9]2[n:10][nH:11][c:12](-[c:14]3[n:15][cH:16][cH:17][cH:18][cH:19]3)[n:13]2)[CH2:7][CH2:8]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-d96ab84a0c2946f088c6f791d7302162
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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