2-(3,4-Dimethoxyphenyl)-2-isopropyl-2-(3-iodopropyl)acetonitrile → 3-carboethoxy-3-[4-(3,4-dimethoxyphenyl)-4-isopropyl-4-cyanobutyl]-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline

반응식

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

참가 물질

반응물 2

HCID 140271622-(3,4-Dimethoxyphenyl)-2-isopropyl-2-(3-iodopropyl)acetonitrile

HCID 202022163-carboethoxy-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline

생성물 1

HCID 202022283-carboethoxy-3-[4-(3,4-dimethoxyphenyl)-4-isopropyl-4-cyanobutyl]-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline

출처 및 근거

ORD 기록: ord-b02659b292cc44d68e37d42e3027212b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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