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Hydrochloric Acid → Hydrochloric Acid

HRID 2149922
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HRID 2149922 반응식
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([C:11](=[O:12])[OH:13])[s:9][c:10]12.[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[ClH:14].[ClH:15].[NH2:16][CH:17]1[CH2:18][N:19]2[CH2:20][CH2:21][CH:22]1[CH2:23][CH2:24]2.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([C:11](=[O:13])[NH:16][CH:17]3[CH2:18][N:19]4[CH2:20][CH2:21][CH:22]3[CH2:23][CH2:24]4)[s:9][c:10]12.[ClH:14]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 7

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1232383-AminoquinuclidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 17979583
7-Bromo-1-benzothiophene-2-carboxylic acid

생성물 2

HCID 313Hydrochloric AcidHCID 17982630N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzothiophene-2-carboxamide

출처 및 근거

ORD 기록
ord-3aebe85e00cb443e89d7e81270f5f5eb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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