Acetic Acid → HCID 59240601, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][n:10][c:11]([N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][cH:26][c:27]([CH:30]=[O:31])[cH:28][n:29]3)[CH2:22][CH2:23]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[CH2:36]1[CH2:37][O:38][CH2:39][CH2:40][NH:41]1.[CH3:32][C:33](=[O:34])[OH:35].[Cl:47][CH2:48][Cl:49].[Na+:46].[O-:42][C:43]([OH:44])=[O:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][n:10][c:11]([N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][cH:26][c:27]([CH2:30][N:41]4[CH2:36][CH2:37][O:38][CH2:39][CH2:40]4)[cH:28][n:29]3)[CH2:22][CH2:23]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12Participants
7
Sources & evidence
- ORD record
- ord-6d7838a02975410fb3605f5f196022cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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