Benzene → HCID 19897069, compound
Reaction equation
[C:28](=[O:29])([OH:30])[O-:31].[CH3:22][N:23]([CH2:24][CH2:25][NH2:26])[CH3:27].[Cl-:39].[Cl-:40].[Cl-:41].[Cl-:42].[Na+:32].[O:1]=[C:2]1[c:3]2[c:4]([cH:13][cH:14][c:15]([CH2:17][C:18](=[O:19])[O:20][CH3:21])[cH:16]2)[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[Ti+4:43].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[C:2]1(=[N:26][CH2:25][CH2:24][N:23]([CH3:22])[CH3:27])[c:3]2[c:4]([cH:13][cH:14][c:15]([CH2:17][C:18](=[O:19])[O:20][CH3:21])[cH:16]2)[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2Participants
8
Sources & evidence
- ORD record
- ord-613f3cec064940af9f6778670fe728a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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