Benzene → HCID 3045474, compound
Reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[Cl-:39].[Cl-:40].[Cl-:41].[Cl-:42].[Cl:8][c:9]1[cH:10][c:11]2[c:12]([cH:29][c:30]1[Cl:31])[CH:13]([N:22]1[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]1)[CH2:14][c:15]1[c:16]([cH:18][cH:19][cH:20][cH:21]1)[S:17]2.[OH2:32].[Ti+4:43].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[Cl:8][c:9]1[cH:10][c:11]2[c:12]([cH:29][c:30]1[Cl:31])[C:13]([N:22]1[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]1)=[CH:14][c:15]1[c:16]([cH:18][cH:19][cH:20][cH:21]1)[S:17]2Participants
7
Sources & evidence
- ORD record
- ord-8834a146540a4a3697b39222dd5525eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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