Dimethylformamide → 3-chloro-5-({5-chloro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,2,3-benzotriazol-4-yl}oxy)benzonitrile

HRID 1556714Notes

Reaction equation

HRID 1556714 reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12]([Cl:20])[cH:13][cH:14][c:15]3[nH:16][n:17][n:18][c:19]23)[cH:9]1.[Cl:27][CH2:28][c:29]1[o:30][c:31](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:32][n:33]1.[Cs+:25].[Cs+:26].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12]([Cl:20])[cH:13][cH:14][c:15]3[n:16][n:17]([CH2:28][c:29]4[o:30][c:31](-[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[n:32][n:33]4)[n:18][c:19]23)[cH:9]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 3149412-(Chloromethyl)-5-phenyl-1,3,4-oxadiazoleHCID 178509930HCID 178509930, compound

Product 1

HCID 251098293-chloro-5-({5-chloro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,2,3-benzotriazol-4-yl}oxy)benzonitrile

Sources & evidence

ORD record
ord-c00980ce90cd49a392f039451a0f8ee8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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