Acetic Acid → HCID 11395886, compound
Reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[Cl:2][c:3]1[n:4][c:5]([C:25]#[N:26])[n:6][c:7]([NH:18][CH:19]([C:20]([F:21])([F:22])[F:23])[CH3:24])[c:8]1-[c:9]1[c:10]([F:17])[cH:11][c:12]([F:16])[cH:13][c:14]1[F:15].[OH2:27].[SH2:1]>>[S:1]=[C:25]([c:5]1[n:4][c:3]([Cl:2])[c:8](-[c:9]2[c:10]([F:17])[cH:11][c:12]([F:16])[cH:13][c:14]2[F:15])[c:7]([NH:18][CH:19]([C:20]([F:21])([F:22])[F:23])[CH3:24])[n:6]1)[NH2:26]Participants
7
Sources & evidence
- ORD record
- ord-3f1c50706fb64b88bde2c42d9107ae62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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