Dichloromethane → N-(4,4-Dimethyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-2-[(2-methylamino-pyrimidin-4-ylmethyl)-amino]-benzamide

HRID 2327339노트

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 695103884,4-Dimethyl-7-{2-[(2-methylamino-pyrimidin-4-ylmethyl)-amino]-benzoylamino}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

생성물 1

HCID 10319738N-(4,4-Dimethyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-2-[(2-methylamino-pyrimidin-4-ylmethyl)-amino]-benzamide

출처 및 근거

ORD 기록: ord-59fad43e52244d5fa760a44210378bc0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

반응 노트

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