Toluene → 4-chloro-7-(2,4-dimethoxybenzyl)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 6101p-Toluenesulfonic acid

HCID 86641611Methyl 2-(4-chloro-6-(2,4-dimethoxybenzylamino)pyrimidin-5-yl)acetate

생성물 1

HCID 569717344-chloro-7-(2,4-dimethoxybenzyl)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

출처 및 근거

ORD 기록: ord-5e8f0c93ccd24871915eef950d7d8b5a
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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