Ammonium → 2,5-dichloro-3-{[5-chloro-1-({1-(4-methoxybenzyl)-6-[(4-methoxybenzyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-yl}methyl)-1H-1,2,3-benzotriazol-4-yl]oxy}benzonitrile

HRID 815166Notes

Reaction equation

HRID 815166 reaction equation
[CH3:22][C:23]([CH3:24])([O-:25])[CH3:26].[Cl-:58].[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.[Cl:28][CH2:29][c:30]1[n:31][n:32]([CH2:49][c:50]2[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]2)[c:33]2[n:34][c:35]([NH:39][CH2:40][c:41]3[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]3)[cH:36][cH:37][c:38]12.[Li+:27].[NH4+:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[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]([CH2:49][c:50]4[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]4)[c:33]4[n:34][c:35]([NH:39][CH2:40][c:41]5[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]5)[cH:36][cH:37][c:38]34)[n:17][n:18][c:19]12

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 28486Lithium ionHCID 45749132-Methylpropan-2-olateHCID 568336463-(Chloromethyl)-N,1-bis(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-6-amineHCID 178509931HCID 178509931, compound

Product 1

HCID 684280332,5-dichloro-3-{[5-chloro-1-({1-(4-methoxybenzyl)-6-[(4-methoxybenzyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-yl}methyl)-1H-1,2,3-benzotriazol-4-yl]oxy}benzonitrile

Sources & evidence

ORD record
ord-7b9a275478ec4aa98e23596b6d7a15c2
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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