Bicarbonate Ion → 1-{[3-(1,1-Dimethylethyl)phenyl]oxy}-4-isothiocyanato-2,5-dimethylbenzene
Reaction equation
[C:25](=[O:26])([OH:27])[O-:28].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:5][C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][c:11]([O:15][c:16]2[cH:17][c:18]([CH3:24])[c:19]([NH2:20])[cH:21][c:22]2[CH3:23])[cH:12][cH:13][cH:14]1.[Cl:1][C:2]([Cl:3])=[S:4].[Na+:29].[OH2:37]>>[C:2](=[S:4])=[N:20][c:19]1[c:18]([CH3:24])[cH:17][c:16]([O:15][c:11]2[cH:10][c:9]([C:6]([CH3:5])([CH3:7])[CH3:8])[cH:14][cH:13][cH:12]2)[c:22]([CH3:23])[cH:21]1Participants
7
Sources & evidence
- ORD record
- ord-70cb0346fd744b3297363dbb9cc18aa1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…