Acetic Acid → 4-(3-chloro-phenylamino)-3-[(3-methoxy-4-hydroxy-benzyl)-amino]-1H-pyrazolo[3,4-d]pyrimidine

HRID 182272Notes

Reaction equation

HRID 182272 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][OH:37].[N:12]#[N:13].[NH2:14][c:15]1[n:16][nH:17][c:18]2[n:19][cH:20][n:21][c:22]([NH:24][c:25]3[cH:26][c:27]([Cl:31])[cH:28][cH:29][cH:30]3)[c:23]12.[OH2:38].[OH:1][c:2]1[c:3]([O:10][CH3:11])[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1>>[OH:1][c:2]1[c:3]([O:10][CH3:11])[cH:4][c:5]([CH2:6][NH:14][c:15]2[n:16][nH:17][c:18]3[n:19][cH:20][n:21][c:22]([NH:24][c:25]4[cH:26][c:27]([Cl:31])[cH:28][cH:29][cH:30]4)[c:23]23)[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 947NitrogenHCID 962WaterHCID 1183VanillinHCID 178509242HCID 178509242, compound

Product 1

HCID 196106164-(3-chloro-phenylamino)-3-[(3-methoxy-4-hydroxy-benzyl)-amino]-1H-pyrazolo[3,4-d]pyrimidine

Sources & evidence

ORD record
ord-5d66d5da1efb4dfd885d177a0090a0ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…