Acetic Acid → HCID 11420805, compound
Reaction equation
[CH3:33][O:34][C:35]([CH3:36])([CH3:37])[O:38][CH3:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[NH2:1][C:2]1([C:30](=[O:31])[NH2:32])[CH2:3][N:4]([c:6]2[n:7][c:8]([CH3:29])[n:9][c:10]3[n:11]2[n:12][c:13](-[c:22]2[c:23]([Cl:28])[cH:24][cH:25][cH:26][cH:27]2)[c:14]3-[c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[CH2:5]1>>[NH:1]1[C:2]2([CH2:3][N:4]([c:6]3[n:7][c:8]([CH3:29])[n:9][c:10]4[n:11]3[n:12][c:13](-[c:22]3[c:23]([Cl:28])[cH:24][cH:25][cH:26][cH:27]3)[c:14]4-[c:15]3[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]3)[CH2:5]2)[C:30](=[O:31])[NH:32][C:35]1([CH3:36])[CH3:37]Participants
5
Sources & evidence
- ORD record
- ord-433884de19264c8f83e3416139289679
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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