Benzene → HCID 13034993, compound
Reaction equation
[CH3:1][C:2]1([CH3:12])[CH:3]([C:9](=[O:10])[Cl:11])[CH:4]1[CH:5]=[C:6]([Cl:7])[Cl:8].[Cl:13][c:14]1[cH:15][cH:16][c:17]([O:18][c:19]2[cH:20][c:21]([CH:22]([C:23]#[CH:24])[OH:25])[cH:26][cH:27][cH:28]2)[cH:29][cH:30]1.[OH2:43].[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1.[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:1][C:2]1([CH3:12])[CH:3]([C:9](=[O:10])[O:25][CH:22]([c:21]2[cH:20][c:19]([O:18][c:17]3[cH:16][cH:15][c:14]([Cl:13])[cH:30][cH:29]3)[cH:28][cH:27][cH:26]2)[C:23]#[CH:24])[CH:4]1[CH:5]=[C:6]([Cl:7])[Cl:8]Participants
6
Sources & evidence
- ORD record
- ord-ee014f51cc4d4203917c2ec8fa874817
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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