4-Bromo-2-(trifluoromethyl)benzenethiol → HCID 178469394, compound

HRID 185840Notes

Reaction equation

HRID 185840 reaction equation
[Br:37][c:38]1[cH:39][c:40]([C:45]([F:46])([F:47])[F:48])[c:41]([SH:44])[cH:42][cH:43]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([CH2:16][O:17][C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:8][CH:9]([O:11][S:12]([CH3:13])(=[O:14])=[O:15])[CH2:10]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([CH2:16][O:17][C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:8][CH:9]([S:44][c:41]2[c:40]([C:45]([F:46])([F:47])[F:48])[cH:39][c:38]([Br:37])[cH:43][cH:42]2)[CH2:10]1

Participants

3

Sources & evidence

ORD record
ord-bcb7b579181a4ca8a06ac0e1be01d74b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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