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Potassium Cation → tert-butyl 6-[2-(phenylsulfanyl)ethyl]-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

HRID 201205
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HRID 201205 반응식
[CH3:25][S:26](=[O:27])(=[O:28])[Cl:29].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:39][CH2:40][Cl:41].[K+:38].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH-:37].[OH:1][CH2:2][CH2:3][n:4]1[c:5]2[c:6]([c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]13)[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2.[SH:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH2:2]([CH2:3][n:4]1[c:5]2[c:6]([c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]13)[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[S:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium CationHCID 961HydroxideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 7969ThiophenolHCID 8471TriethylamineHCID 31297Methanesulfonyl chloride
HCID 22396751
tert-butyl 6-(2-hydroxyethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

생성물 1

HCID 22396645tert-butyl 6-[2-(phenylsulfanyl)ethyl]-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

출처 및 근거

ORD 기록
ord-1f17c4f9614a450d8e86ef9953fb76d8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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