HCID 12641422, 화합물 → HCID 69350719, 화합물

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[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][C:13](=[O:14])[OH:15])[C:9]1=[O:10].[c:24]1([CH3:36])[c:25]([CH2:32][CH:33]([CH3:34])[OH:35])[c:26]([CH3:31])[cH:27][c:28]([CH3:30])[cH:29]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][C:13](=[O:14])[O:15][CH:33]([CH2:32][c:25]2[c:24]([CH3:36])[cH:29][c:28]([CH3:30])[cH:27][c:26]2[CH3:31])[CH3:34])[C:9]1=[O:10]

참가 물질

반응물 2

HCID 12641422HCID 12641422, 화합물

HCID 67241765[(2-tert-Butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]acetic acid

생성물 1

HCID 69350719HCID 69350719, 화합물

출처 및 근거

ORD 기록: ord-cb1db5b10aaa42f2bab100e2cc5f30e5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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