Acetic Acid → HCID 18677097, compound
Reaction equation
[C:31]([BH3-:32])#[N:33].[CH3:35][C:36](=[O:37])[OH:38].[CH3:39][OH:40].[Cl:21][c:22]1[c:23]([CH:24]=[O:25])[c:26]([CH3:30])[cH:27][cH:28][cH:29]1.[NH2:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10](-[c:15]3[cH:16][n:17][cH:18][cH:19][cH:20]3)[cH:11][c:12]2[C:13]#[N:14])[cH:6][cH:7]1.[Na+:34]>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10](-[c:15]3[cH:16][n:17][cH:18][cH:19][cH:20]3)[cH:11][c:12]2[C:13]#[N:14])[cH:6][cH:7]1)[CH2:24][c:23]1[c:22]([Cl:21])[cH:29][cH:28][cH:27][c:26]1[CH3:30]Participants
7
Sources & evidence
- ORD record
- ord-484a8544daa64d05880e01821cef32c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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