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Hydrochloric Acid → N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-benzoxazole-4-carboxamide

HRID 93837
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반응식

HRID 93837 반응식
[CH2:26]([N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35])[CH3:36].[CH3:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([C:11](=[O:12])[OH:13])[cH:8][cH:9][cH:10]2.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:59][CH2:60][Cl:61].[ClH:14].[ClH:15].[ClH:25].[NH2:16][CH:17]1[CH2:18][N:19]2[CH2:20][CH2:21][CH:22]1[CH2:23][CH2:24]2.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([C:11](=[O:13])[NH:16][CH:17]1[CH2:18][N:19]3[CH2:20][CH2:21][CH:22]1[CH2:23][CH2:24]3)[cH:8][cH:9][cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid3회HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 1232383-Aminoquinuclidine
HCID 18354628
2-Methyl-1,3-benzoxazole-4-carboxylic acid

생성물 1

HCID 24944768N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-benzoxazole-4-carboxamide

출처 및 근거

ORD 기록
ord-5d74d8b3c5264eaca61e700695a9b689
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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