Methanol → 5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-2-amine

HRID 137302

Reaction equation

HRID 137302 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH2:13][C:14]#[C:15][c:16]2[cH:17][n:18]([CH2:27][c:28]3[n:29][cH:30][c:31]([CH3:37])[c:32]([O:35][CH3:36])[c:33]3[CH3:34])[c:19]3[n:20][c:21]([NH2:26])[n:22][c:23]([Cl:25])[c:24]23)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:38][OH:39].[Cl:45][CH2:46][Cl:47].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[CH2:12]=[CH:13][C:14]#[C:15][c:16]1[cH:17][n:18]([CH2:27][c:28]2[n:29][cH:30][c:31]([CH3:37])[c:32]([O:35][CH3:36])[c:33]2[CH3:34])[c:19]2[n:20][c:21]([NH2:26])[n:22][c:23]([Cl:25])[c:24]12

Participants

5

Reactant 4

HCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 866082324-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-5-yl)but-3-ynyl 4-methylbenzenesulfonate

Product 1

HCID 577138135-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-2-amine

Sources & evidence

ORD record
ord-7995f0b0dacd489eba7c802b6844b483
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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