Dichloromethane → 4-(7-chloro-4-(mesityloxy)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)benzonitrile

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 31398Chlorosuccinimide

HCID 576936284-(4-(Mesityloxy)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)benzonitrile

생성물 1

HCID 576936384-(7-chloro-4-(mesityloxy)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)benzonitrile

출처 및 근거

ORD 기록: ord-86526449c7ba4e7c8c83cd49d77fc4c3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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