Water → Befetupitant

HRID 199090Notes

Reaction equation

HRID 199090 reaction equation
[CH2:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH:47]([CH3:48])[CH3:49])[CH3:50].[CH3:21][NH:22][c:23]1[cH:24][n:25][c:26]([N:36]2[CH2:37][CH2:38][O:39][CH2:40][CH2:41]2)[cH:27][c:28]1-[c:29]1[c:30]([CH3:35])[cH:31][cH:32][cH:33][cH:34]1.[Cl:52][CH2:53][Cl:54].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[Cl:16])([CH3:17])[CH3:18])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:19])[F:20].[OH2:51]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:22]([CH3:21])[c:23]2[cH:24][n:25][c:26]([N:36]3[CH2:37][CH2:38][O:39][CH2:40][CH2:41]3)[cH:27][c:28]2-[c:29]2[c:30]([CH3:35])[cH:31][cH:32][cH:33][cH:34]2)([CH3:17])[CH3:18])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:19])[F:20]

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 112671412-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoyl chlorideHCID 11437557Methyl-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-amine

Product 1

HCID 6450815Befetupitant

Sources & evidence

ORD record
ord-e76d70204d6d4213ae5b2c2f6da3ae56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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