Dichloromethane → 8-Azetidin-3-ylmethyl-2-(2-methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine

HRID 2131542

반응식

HRID 2131542 반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([CH2:12][c:13]2[n:14]([CH3:38])[c:15]3[n:16][c:17](-[n:28]4[c:29]([CH3:37])[n:30][c:31]5[c:32]4[cH:33][cH:34][cH:35][cH:36]5)[n:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:20]3[n:21]2)[CH2:11]1)([CH3:5])([CH3:6])[CH3:7].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[NH:8]1[CH2:9][CH:10]([CH2:12][c:13]2[n:14]([CH3:38])[c:15]3[n:16][c:17](-[n:28]4[c:29]([CH3:37])[n:30][c:31]5[c:32]4[cH:33][cH:34][cH:35][cH:36]5)[n:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:20]3[n:21]2)[CH2:11]1

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 596059203-[2-(2-Methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 596054598-Azetidin-3-ylmethyl-2-(2-methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine

출처 및 근거

ORD 기록
ord-600060fa628d44a595ed9b211e0d54c0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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