Water → HCID 15477722, compound

HRID 167554Notes

Reaction equation

HRID 167554 reaction equation
[CH3:24][N:25]([CH3:26])[CH3:27].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:16])[c:6](-[c:8]2[cH:9][c:10]([Cl:15])[c:11]([Cl:14])[cH:12][cH:13]2)[n:7]1.[F:28][C:29]([c:30]1[cH:31][c:32]([OH:37])[cH:33][cH:34][c:35]1[F:36])([F:38])[F:39].[OH2:47].[c:17]1([CH3:18])[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[c:2]1([O:37][c:32]2[cH:31][c:30]([C:29]([F:28])([F:38])[F:39])[c:35]([F:36])[cH:34][cH:33]2)[n:3][cH:4][c:5]([Cl:16])[c:6](-[c:8]2[cH:9][c:10]([Cl:15])[c:11]([Cl:14])[cH:12][cH:13]2)[n:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140Toluene2×HCID 1146TrimethylamineHCID 6018544-Fluoro-3-(trifluoromethyl)phenolHCID 15477739HCID 15477739, compound

Product 1

HCID 15477722HCID 15477722, compound

Sources & evidence

ORD record
ord-fb53cdaeb5d04878b6923f685550e478
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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