Acetic Acid → HCID 57815484, compound
Reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[C:54](=[O:55])([O-:56])[OH:57].[CH3:62][C:63](=[O:64])[OH:65].[CH:66]([Cl:67])([Cl:68])[Cl:69].[Cl:59][CH2:60][Cl:61].[Na+:53].[Na+:58].[O:15]1[CH2:16][CH2:17][O:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([CH2:25][N:26]([C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1)[cH:24]2.[O:1]=[c:2]1[cH:3][n:4][c:5]2[c:6]([n:7]1[CH2:8][CH:9]=[O:10])[n:11][cH:12][cH:13][cH:14]2>>[O:1]=[c:2]1[cH:3][n:4][c:5]2[c:6]([n:7]1[CH2:8][CH2:9][N:37]1[CH2:36][CH2:35][CH:34]([N:26]([CH2:25][c:23]3[cH:22][cH:21][c:20]4[c:19]([cH:24]3)[O:18][CH2:17][CH2:16][O:15]4)[C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:39][CH2:38]1)[n:11][cH:12][cH:13][cH:14]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-1da62d23df894347beeda1530a0ff052
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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