Dichloromethane → 1-(1,7-Diphenyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)-3-propylthiourea

반응식

[CH2:27]([CH2:28][CH3:29])[N:30]=[C:31]=[S:32].[Cl:33][CH2:34][Cl:35].[c:1]1([CH:7]2[CH2:8][CH2:9][N:10]3[c:11]4[c:12]([cH:13][c:14]([NH2:17])[cH:15][c:16]42)[CH:18]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:19][CH2:20]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][CH2:9][N:10]3[c:11]4[c:12]([cH:13][c:14]([NH:17][C:31]([NH:30][CH2:27][CH2:28][CH3:29])=[S:32])[cH:15][c:16]42)[CH:18]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:19][CH2:20]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 69403Propyl Isothiocyanate

HCID 29025301,7-Diphenyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-amine

생성물 1

HCID 444785101-(1,7-Diphenyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)-3-propylthiourea

출처 및 근거

ORD 기록: ord-d1201b676c194eb99ce2ffcc23c23585
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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