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Hydrochloric Acid → tert-Butyl [(4-cyano-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-2-carbonyl)methylamino]acetate

HRID 2314609
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인쇄 미리보기

반응식

HRID 2314609 반응식
[C:16](#[N:17])[c:18]1[c:19]([CH3:39])[c:20](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:21]([F:32])[c:22]2[c:23]1[n:24][c:25]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[o:26]2.[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11]([CH2:12][NH:13][CH3:14])=[O:15].[CH3:1][Al:2]([CH3:3])[CH3:4].[Cl:41][CH2:42][Cl:43].[ClH:40].[ClH:5]>>[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11]([CH2:12][NH:13][CH2:14][C:27]([c:25]1[n:24][c:23]2[c:18]([C:16]#[N:17])[c:19]([CH3:39])[c:20](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:21]([F:32])[c:22]2[o:26]1)=[O:28])=[O:15]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 5069406Tert-butyl 2-(methylamino)acetateHCID 16682925TrimethylaluminumHCID 51041426Ethyl 4-cyano-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-2-carboxylate

생성물 1

HCID 86630857
tert-Butyl [(4-cyano-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-2-carbonyl)methylamino]acetate

출처 및 근거

ORD 기록
ord-3275cebb3bf54a5fa5d962fb78933be8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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