Acetonitrile → 6-[[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]amino]-4H-1,4-benzothiazin-3-one

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH:8]1[O:9][CH2:10]1)([CH3:11])[CH3:12].[CH3:25][C:26]#[N:27].[NH2:13][c:14]1[cH:15][cH:16][c:17]2[c:18]([cH:24]1)[NH:19][C:20](=[O:23])[CH2:21][S:22]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH:8]([OH:9])[CH2:10][NH:13][c:14]1[cH:15][cH:16][c:17]2[c:18]([cH:24]1)[NH:19][C:20](=[O:23])[CH2:21][S:22]2)([CH3:11])[CH3:12]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 6869016-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one

HCID 3605359tert-Butyldimethylsilyl glycidyl ether

생성물 1

HCID 667378216-[[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]amino]-4H-1,4-benzothiazin-3-one

출처 및 근거

ORD 기록: ord-25c695eaaa21434f9cfbc33b3b687f43
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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