1-Hexanethiol → 9-[1-(3,4-Dimethoxybenzoyl)-2-[5-(hexylthio)pentyl]-1,2,3,4-tetrahydro-4-quinolinyl]-9H-carbazole

HRID 313371

반응식

HRID 313371 반응식
[CH2:42]([CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[SH:48].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[n:12]([CH:14]3[CH2:15][CH:16]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][OH:41])[N:17]([C:24]([c:25]4[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]4)=[O:35])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]43)[c:13]12>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[n:12]([CH:14]3[CH2:15][CH:16]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][S:48][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[N:17]([C:24]([c:25]4[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]4)=[O:35])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]43)[c:13]12

참가 물질

3

반응물 2

HCID 81061-HexanethiolHCID 223392335-[4-(9H-9-Carbazolyl)-1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydro-2-quinolinyl]-1-pentanol

생성물 1

HCID 223392749-[1-(3,4-Dimethoxybenzoyl)-2-[5-(hexylthio)pentyl]-1,2,3,4-tetrahydro-4-quinolinyl]-9H-carbazole

출처 및 근거

ORD 기록
ord-bdf8520dca034c239eb141447f50e717
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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