Water → 2-[4-(4-Pyridin-4-yl-4H-[1,2,4]triazol-3-yl)-phenoxymethyl]-quinoline

HRID 1151282

Reaction equation

HRID 1151282 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[Cl:25][CH2:26][c:27]1[n:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[cH:35][cH:36]1.[Cs+:23].[Cs+:24].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37].[n:1]1[cH:2][cH:3][c:4](-[n:7]2[c:8](-[c:12]3[cH:13][cH:14][c:15]([OH:18])[cH:16][cH:17]3)[n:9][n:10][cH:11]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[n:7]2[c:8](-[c:12]3[cH:13][cH:14][c:15]([O:18][CH2:26][c:27]4[n:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]5[cH:35][cH:36]4)[cH:16][cH:17]3)[n:9][n:10][cH:11]2)[cH:5][cH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 203942-(Chloromethyl)quinolineHCID 104967Cesium cation2×HCID 1363758244-(4-Pyridin-4-yl-4H-[1,2,4]triazol-3-yl)-phenol

Product 1

HCID 116105772-[4-(4-Pyridin-4-yl-4H-[1,2,4]triazol-3-yl)-phenoxymethyl]-quinoline

Sources & evidence

ORD record
ord-f8870acf5cd44cf28c3c1a83ade1e370
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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