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Hydrochloric Acid → Methyl 2-ethoxy-3-{4-[2-(6-[(methoxyimino)(phenyl)methyl]-2-oxo-1,3-benzothiazol-3(2H)-yl)ethoxy]phenyl}propanoate

HRID 1150276
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HRID 1150276 반응식
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[cH:10][c:11]2[c:12]([n:13]([CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]([CH2:26][CH:27]([C:28](=[O:29])[O:30][CH3:31])[O:32][CH2:33][CH3:34])[cH:24][cH:25]3)[c:14](=[O:16])[s:15]2)[cH:35][cH:36]1.[CH3:38][O:39][NH2:40].[CH3:47][OH:48].[ClH:37].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:9]1[cH:10][c:11]2[c:12]([n:13]([CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]([CH2:26][CH:27]([C:28](=[O:29])[O:30][CH3:31])[O:32][CH2:33][CH3:34])[cH:24][cH:25]3)[c:14](=[O:16])[s:15]2)[cH:35][cH:36]1)=[N:40][O:39][CH3:38]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 1049PyridineHCID 4113O-MethylhydroxylamineHCID 11584254Methyl 3-{4-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3(2H)-yl)ethoxy]phenyl}-2-ethoxypropanoate

생성물 1

HCID 72808510Methyl 2-ethoxy-3-{4-[2-(6-[(methoxyimino)(phenyl)methyl]-2-oxo-1,3-benzothiazol-3(2H)-yl)ethoxy]phenyl}propanoate

출처 및 근거

ORD 기록
ord-e536587760d44a45bcdb7be8671720a2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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