Water → {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chloro-phenyl)-methanol

HRID 2325569Notes

Reaction equation

HRID 2325569 reaction equation
[Al+3:2].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[F:7][C:8]([c:9]1[cH:10][c:11]([CH2:12][n:13]2[n:14][n:15][c:16](-[c:24]3[n:25][cH:26][cH:27][cH:28][c:29]3[C:30](=[O:31])[c:32]3[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]3)[c:17]2-[c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[OH2:48]>>[F:7][C:8]([c:9]1[cH:10][c:11]([CH2:12][n:13]2[n:14][n:15][c:16](-[c:24]3[n:25][cH:26][cH:27][cH:28][c:29]3[CH:30]([OH:31])[c:32]3[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]3)[c:17]2-[c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47]

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 9916461Tradipitant

Product 1

HCID 10175299{2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chloro-phenyl)-methanol

Sources & evidence

ORD record
ord-abd941b688b94147a75477b51c647e34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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