Dimethylformamide → tert-butyl 3-{[5-chloro-4-(2,5-dichloro-3-cyanophenoxy)-1H-1,2,3-benzotriazol-1-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

HRID 2157840Notes

Reaction equation

HRID 2157840 reaction equation
[Br:28][CH2:29][c:30]1[n:31][n:32]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]12.[C:22](=[O:23])([O-:24])[O-:25].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:21])[cH:8][c:9]1[O:10][c:11]1[c:12]([Cl:20])[cH:13][cH:14][c:15]2[nH:16][n:17][n:18][c:19]12.[Cs+:26].[Cs+:27].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:21])[cH:8][c:9]1[O:10][c:11]1[c:12]([Cl:20])[cH:13][cH:14][c:15]2[n:16]([CH2:29][c:30]3[n:31][n:32]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:33]4[n:34][cH:35][cH:36][cH:37][c:38]34)[n:17][n:18][c:19]12

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 10828872tert-Butyl 3-(bromomethyl)-1H-pyrazolo[3,4-b]pyridine-1-carboxylateHCID 178509931HCID 178509931, compound

Product 1

HCID 68428123tert-butyl 3-{[5-chloro-4-(2,5-dichloro-3-cyanophenoxy)-1H-1,2,3-benzotriazol-1-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

Sources & evidence

ORD record
ord-b84e9af39a2e4731ba7fb5282b5a03bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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