Benzene → HCID 21539321, compound
Reaction equation
[CH2:1]1[CH2:2][CH2:3][CH2:4][CH2:5][C:6]12[NH:7][C:8]1([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1)[NH:14][C:15]2=[S:16].[K:27][C:28]#[N:29].[N:30]12[CH2:31][CH2:32][N:33]([CH2:34][CH2:35]1)[CH2:36][CH2:37]2.[c:17]1([CH3:26])[cH:18][cH:19][c:20]([N:23]=[C:24]=[O:25])[cH:21][cH:22]1.[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:1]1[CH2:2][CH2:3][CH2:4][CH2:5][C:6]12[NH:7][C:8]1([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1)[N:14]([C:24]([NH:23][c:20]1[cH:19][cH:18][c:17]([CH3:26])[cH:22][cH:21]1)=[O:25])[C:15]2=[S:16]Participants
6
Sources & evidence
- ORD record
- ord-3ec91bbacd4049feb52d1019bcc1099d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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