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Methanol → 4-[2-[3-[2-(4-Cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2-oxoethyl]benzoic acid

HRID 2147232
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반응식

HRID 2147232 반응식
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([CH:20]=[CH:21][c:22]3[s:23][cH:24][c:25]([CH:27]4[CH2:28][CH2:29][CH2:30]4)[n:26]3)[cH:17][cH:18][cH:19]2)[cH:8][cH:9]1)=[O:31].[CH3:38][OH:39].[Li+:42].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[OH-:41].[OH2:40].[OH2:43]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([CH:20]=[CH:21][c:22]3[s:23][cH:24][c:25]([CH:27]4[CH2:28][CH2:29][CH2:30]4)[n:26]3)[cH:17][cH:18][cH:19]2)[cH:8][cH:9]1)[OH:31]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2회HCID 8894TetrahydropyranHCID 28486Lithium CationHCID 54043596Methyl 4-[2-[3-[2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2-oxoethyl]benzoate

생성물 1

HCID 53728924
4-[2-[3-[2-(4-Cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2-oxoethyl]benzoic acid

출처 및 근거

ORD 기록
ord-7ddf475f646d4485b14cf3deb43f8dfa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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