Acetic Acid → HCID 86651293, compound
Reaction equation
[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][C:39](=[O:40])[OH:41].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:6](=[O:13])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[Cl-:19].[Cl:20][c:21]1[cH:22][c:23]2[c:28]([cH:29][cH:30]1)[CH2:27][NH2+:26][CH2:25][CH2:24]2.[Cl:42][CH:43]([Cl:44])[CH3:45]>>[CH2:1]([c:3]1[cH:4][c:5]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:6](=[O:13])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[N:26]1[CH2:25][CH2:24][c:23]2[cH:22][c:21]([Cl:20])[cH:30][cH:29][c:28]2[CH2:27]1Participants
7
Sources & evidence
- ORD record
- ord-67a939c48e7c4431a4f538f9c4d76e0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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