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Acetic Acid → tert-butyl N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methylpentan-2-yl]carbamate

HRID 316737
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인쇄 미리보기

반응식

HRID 316737 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[CH:13]=[O:14])=[O:15].[C:37]([BH3-:38])#[N:39].[C:42]([OH:43])(=[O:44])[CH3:45].[CH3:46][OH:47].[ClH:41].[F:16][c:17]1[cH:18][cH:19][c:20]([CH:23]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[cH:21][cH:22]1.[Na+:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[CH2:13][N:27]1[CH2:26][CH2:25][N:24]([CH:23]([c:20]2[cH:19][cH:18][c:17]([F:16])[cH:22][cH:21]2)[c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[CH2:29][CH2:28]1)=[O:15]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 1529321-(Bis(4-fluorophenyl)methyl)piperazineHCID 498716Cyano-borohydrideHCID 546109tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate

생성물 1

HCID 23388434tert-butyl N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methylpentan-2-yl]carbamate

출처 및 근거

ORD 기록
ord-150dcb556ec74ba6b87ac447323c4cd9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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