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Hydrochloric Acid → N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methyl-5-phenylpyrrole-2-carboxamide

HRID 109569
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반응식

HRID 109569 반응식
[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:21][n:22]1[c:23]([C:33](=[O:34])[OH:35])[cH:24][cH:25][c:26]1-[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Cl:65][CH2:66][Cl:67].[ClH:1].[ClH:2].[NH2:3][CH:4]1[CH2:5][N:6]2[CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11]2.[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[NH:3]([CH:4]1[CH2:5][N:6]2[CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11]2)[C:33]([c:23]1[n:22]([CH3:21])[c:26](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:25][cH:24]1)=[O:34]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1232383-AminoquinuclidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 223507001-methyl-5-phenyl-1H-pyrrole-2-carboxylic acid

생성물 1

HCID 18182041N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methyl-5-phenylpyrrole-2-carboxamide

출처 및 근거

ORD 기록
ord-dbb8d9948d8645798b8cbed7cca5e4cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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