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Hydrochloric Acid → (+/-)-13-Cyclohexyl-N-[(dimethylamino)sulfonyl]-6,7-dihydro-6-hydroxy-5H-indolo[2,1-a][2]benzazepine-10-carboxamide

HRID 89295
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HRID 89295 반응식
[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:41][N:42]([S:43](=[O:44])(=[O:45])[NH2:46])[CH3:47].[CH3:48][N:49]([c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1)[CH3:56].[CH:13]1([c:19]2[c:20]3[cH:21][cH:22][c:23]([C:38](=[O:39])[OH:40])[cH:24][c:25]3[n:26]3[c:27]2-[c:28]2[c:29]([cH:34][cH:35][cH:36][cH:37]2)[CH2:30][CH:31]([OH:33])[CH2:32]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[Cl:62][CH2:63][Cl:64].[ClH:1].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH:13]1([c:19]2[c:20]3[cH:21][cH:22][c:23]([C:38](=[O:39])[NH:46][S:43]([N:42]([CH3:41])[CH3:47])(=[O:44])=[O:45])[cH:24][c:25]3[n:26]3[c:27]2-[c:28]2[c:29]([cH:34][cH:35][cH:36][cH:37]2)[CH2:30][CH:31]([OH:33])[CH2:32]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 134472N,N-DimethylsulfamideHCID 58765272(+/-)13-cyclohexyl-6,7-dihydro-6-hydroxy-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

생성물 1

HCID 58765280(+/-)-13-Cyclohexyl-N-[(dimethylamino)sulfonyl]-6,7-dihydro-6-hydroxy-5H-indolo[2,1-a][2]benzazepine-10-carboxamide

출처 및 근거

ORD 기록
ord-ed356bc4142a4ac89cedc3f0a0c21efb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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