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Water → 2-Propanyl (1-{[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino}-3-methyl-1-oxo-2-butanyl)carbamate

HRID 2323833
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인쇄 미리보기

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HRID 2323833 반응식
[C:22]([Cl:23])(=[O:24])[O:25][CH2:26][CH:27]([CH3:28])[CH3:29].[CH3:15][N:16]1[CH2:17][CH2:18][O:19][CH2:20][CH2:21]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[NH:7][CH:8]([CH:9]([CH3:10])[CH3:11])[C:12](=[O:13])[OH:14].[F:41][c:42]1[cH:43][c:44]2[c:45]([n:46][c:47]([CH:49]([CH3:50])[NH2:51])[s:48]2)[cH:52][cH:53]1.[OH2:61].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[NH:7][CH:8]([CH:9]([CH3:10])[CH3:11])[C:12](=[O:14])[NH:51][CH:49]([c:47]1[n:46][c:45]2[c:44]([cH:43][c:42]([F:41])[cH:53][cH:52]2)[s:48]1)[CH3:50]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 79724-MethylmorpholineHCID 62365Isobutyl chloroformateHCID 103135286-Fluoro-alpha-methyl-2-benzothiazolemethanamineHCID 150201242-(Isopropoxycarbonylamino)-3-methyl-butanoic acid

생성물 1

HCID 187724742-Propanyl (1-{[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino}-3-methyl-1-oxo-2-butanyl)carbamate

출처 및 근거

ORD 기록
ord-dcd238bd7c854351aa6f14678d692f2e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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