Benzene → 1,3-Bis-n-heptyl-1-chlorocarbonyl-2-ethyl isothiourea
Reaction equation
[CH2:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[NH:22][C:23]([S:24][CH2:25][CH3:26])=[N:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH3:8][CH2:9][N:10]([CH2:11][CH3:12])[CH2:13][CH3:14].[Cl:1][CH2:2][Cl:3].[Cl:4][C:5]([Cl:6])=[O:7].[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[Cl:4][C:5](=[O:7])[N:27]([C:23](=[N:22][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[S:24][CH2:25][CH3:26])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34]Participants
6
Sources & evidence
- ORD record
- ord-11dd185dcde94fa4a8fb55d32c0133a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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