Benzene → HCID 21539303, compound
Reaction equation
[CH2:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[N:23]=[C:24]=[O:25].[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:26][C:27]#[N:28].[N:29]12[CH2:30][CH2:31][N:32]([CH2:33][CH2:34]1)[CH2:35][CH2:36]2.[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]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][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])=[O:25])[C:15]2=[S:16]Participants
6
Sources & evidence
- ORD record
- ord-1826adf50ec64426bf462bcaba24b2f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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