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Hydrochloric Acid → (3,5-dichlorophenyl)methyl 4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazine-1-carboxylate

HRID 150535
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HRID 150535 반응식
[C:39](=[O:40])([n:41]1[cH:42][cH:43][n:44][cH:45]1)[n:46]1[cH:47][cH:48][n:49][cH:50]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:3][C:4]1([CH2:15][N:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[CH2:5][n:6]2[c:7]([n:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]2)[O:8]1.[Cl:29][c:30]1[cH:31][c:32]([CH2:33][OH:34])[cH:35][c:36]([Cl:38])[cH:37]1.[ClH:1].[ClH:2].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:51]>>[CH3:3][C:4]1([CH2:15][N:16]2[CH2:17][CH2:18][N:19]([C:39]([O:34][CH2:33][c:32]3[cH:31][c:30]([Cl:29])[cH:37][c:36]([Cl:38])[cH:35]3)=[O:40])[CH2:20][CH2:21]2)[CH2:5][n:6]2[c:7]([n:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]2)[O:8]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 432363,5-Dichlorobenzylic alcoholHCID 682631,1'-CarbonyldiimidazoleHCID 230802552-methyl-6-nitro-2-(piperazin-1-ylmethyl)-3H-imidazo[2,1-b][1,3]oxazole

생성물 1

HCID 77712959(3,5-dichlorophenyl)methyl 4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-881ed7e371374c07b2b508dc98262643
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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