6-Chloro-1,2,3,4-tetrahydroisoquinoline → (6-Chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-cyclopropylmethoxy-5-methanesulfonyl-phenyl)-methanone

반응식

[CH:12]1([CH2:15][O:16][c:17]2[c:18]([C:19](=[O:20])[OH:21])[cH:22][c:23]([S:26](=[O:27])(=[O:28])[CH3:29])[cH:24][cH:25]2)[CH2:13][CH2:14]1.[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][NH:7][CH2:6][CH2:5]2>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([C:19]([c:18]1[c:17]([O:16][CH2:15][CH:12]3[CH2:13][CH2:14]3)[cH:25][cH:24][c:23]([S:26](=[O:27])(=[O:28])[CH3:29])[cH:22]1)=[O:20])[CH2:6][CH2:5]2

참가 물질

반응물 2

HCID 117895946-Chloro-1,2,3,4-tetrahydroisoquinoline

HCID 211002282-Cyclopropylmethoxy-5-methanesulfonyl-benzoic acid

생성물 1

HCID 58677875(6-Chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-cyclopropylmethoxy-5-methanesulfonyl-phenyl)-methanone

출처 및 근거

ORD 기록: ord-ef5dd7edb6ff495fb3c7a8750f62ab58
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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