Dichloromethane → N-Phenyl-7-[1-(pyridin-4-yl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 7673Phenyl Isothiocyanate

HCID 113247627-[1-(Pyridin-4-yl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinoline

생성물 1

HCID 18536507N-Phenyl-7-[1-(pyridin-4-yl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

출처 및 근거

ORD 기록: ord-f02c1dd688ce4f91ac615ff9dce5b6e2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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