O-Xylene → 1-(3-Benzyl-2-thioureido)-1-deoxy-beta-d-glucopyranose 2,3,4,6-tetraacetate

HRID 1125986

반응식

HRID 1125986 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([N:24]=[C:25]=[S:26])[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[NH2:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:35]1([CH3:36])[c:37]([CH3:38])[cH:39][cH:40][cH:41][cH:42]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([NH:24][C:25](=[S:26])[NH:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]

참가 물질

4

반응물 3

HCID 7237O-XyleneHCID 7504BenzylamineHCID 312833(3,4,5-Triacetyloxy-6-isothiocyanatooxan-2-yl)methyl acetate

생성물 1

HCID 43293661-(3-Benzyl-2-thioureido)-1-deoxy-beta-d-glucopyranose 2,3,4,6-tetraacetate

출처 및 근거

ORD 기록
ord-78ffc813f9c742219610fcba47a2a433
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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