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Ethanol → 1-cyclohexyl-2-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)-6-quinolyl]benzimidazole-5-carboxylic acid

HRID 125051
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반응식

HRID 125051 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([OH:6])[c:7](-[c:8]2[n:9][c:10]3[cH:11][cH:12][c:13](-[c:18]4[n:19][c:20]5[c:21]([n:22]4[CH:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[cH:32]5)[cH:14][c:15]3[cH:16][cH:17]2)[cH:36]1.[C:37](=[O:38])([CH3:39])[c:40]1[cH:41][cH:42][c:43]2[c:44]([cH:50]1)[NH:45][C:46](=[O:49])[CH2:47][O:48]2.[CH3:53][CH2:54][OH:55].[K+:52].[OH-:51]>>[c:8]1(-[c:40]2[cH:41][cH:42][c:43]3[c:44]([cH:50]2)[NH:45][C:46](=[O:49])[CH2:47][O:48]3)[n:9][c:10]2[cH:11][cH:12][c:13](-[c:18]3[n:19][c:20]4[c:21]([n:22]3[CH:23]3[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[cH:32]4)[cH:14][c:15]2[cH:16][cH:17]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 36419566-Acetyl-2H-1,4-benzoxazin-3(4H)-oneHCID 52759802-[2-(5-Bromo-2-hydroxy-phenyl)-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

생성물 1

HCID 52760841-cyclohexyl-2-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)-6-quinolyl]benzimidazole-5-carboxylic acid

출처 및 근거

ORD 기록
ord-f1105a56d4304d8a80f0846d7c49d45e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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