Water → 3-[(6-Chloro-2-phenylpyrimidin-4-yl)oxy]-4-(benzyloxy)benzonitrile

HRID 139328

Reaction equation

HRID 139328 reaction equation
[C:15](=[O:16])([O-:17])[O-:18].[CH3:39][C:40]#[N:41].[Cl:1][c:2]1[n:3][c:4](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:5][c:6]([Cl:8])[cH:7]1.[Cs+:19].[Cs+:20].[OH2:38].[OH:21][c:22]1[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][c:29]1[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[c:2]1([O:21][c:22]2[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][c:29]2[O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[n:3][c:4](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 77338FenclorimHCID 104967Cesium cation2×HCID 154534514-(Benzyloxy)-3-hydroxybenzonitrile

Product 1

HCID 154807033-[(6-Chloro-2-phenylpyrimidin-4-yl)oxy]-4-(benzyloxy)benzonitrile

Sources & evidence

ORD record
ord-1e66bb14b8df4e0492677f62edea003d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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