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Ethanol → 2-(Methyloxycarbonyl)amino-4-isopropyl-7-methyl-benzothiazole-6-thiol

HRID 165833
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반응식

HRID 165833 반응식
[CH3:1][O:2][C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[c:9]([n:10]1)[c:11]([CH:19]([CH3:20])[CH3:21])[cH:12][c:13]([S:16][C:17]#[N:18])[c:14]2[CH3:15].[CH3:35][CH2:36][OH:37].[O-:30][P:31](=[O:32])([O-:33])[O-:34].[SH:22][CH2:23][CH:24]([CH:25]([CH2:26][SH:27])[OH:28])[OH:29]>>[CH3:1][O:2][C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[c:9]([n:10]1)[c:11]([CH:19]([CH3:20])[CH3:21])[cH:12][c:13]([SH:16])[c:14]2[CH3:15]
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참가 물질

5

반응물 4

HCID 702EthanolHCID 1061PhosphateHCID 190011,4-Dimercapto-2,3-butanediolHCID 225730782-(Methyloxycarbonyl)amino-4-isopropyl-7-methyl-6-thiocyanato-benzothiazole

생성물 1

HCID 225729772-(Methyloxycarbonyl)amino-4-isopropyl-7-methyl-benzothiazole-6-thiol

출처 및 근거

ORD 기록
ord-59f91eeab33c4e8e92c561a2034a5210
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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