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Hydrochloric Acid → 1,1-Dimethylethyl 2-(4-(4-fluorophenyl)-1-piperazinyl)-2-oxo-1-(phenylmethyl)ethylcarbamate

HRID 101435
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HRID 101435 반응식
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[ClH:1].[ClH:2].[F:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:8][cH:9]1.[N+:23]([c:24]1[cH:25][cH:26][c:27]([O:32][C:33](=[O:28])[CH:34]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:43][c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:29][cH:30]1)([O-:31])=[O:50].[OH2:51]>>[F:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][N:13]([C:33](=[O:32])[CH:34]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1
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반응물 6

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 752601-(4-Fluorophenyl)piperazineHCID 33283254-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate

생성물 1

HCID 53804735
1,1-Dimethylethyl 2-(4-(4-fluorophenyl)-1-piperazinyl)-2-oxo-1-(phenylmethyl)ethylcarbamate

출처 및 근거

ORD 기록
ord-869e236d01af413dbed5de71c111b9e3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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