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Hydrochloric Acid → 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonyl]-amino}-benzoic acid

HRID 702792
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인쇄 미리보기

반응식

HRID 702792 반응식
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:35]2)[N:19]([S:23](=[O:24])(=[O:25])[c:26]2[c:27]([O:33][CH3:34])[cH:28][cH:29][c:30]([Cl:32])[cH:31]2)[CH2:20][CH2:21][O:22]3)[cH:9][cH:10]1)=[O:36].[CH3:45][OH:46].[ClH:39].[Na+:38].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:37]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:35]2)[N:19]([S:23](=[O:24])(=[O:25])[c:26]2[c:27]([O:33][CH3:34])[cH:28][cH:29][c:30]([Cl:32])[cH:31]2)[CH2:20][CH2:21][O:22]3)[cH:9][cH:10]1)[OH:36]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 469019604-{[4-(5-chloro-2-methoxy-benzene-sulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonyl]-amino}-benzoic acid ethyl ester

생성물 1

HCID 25093774
4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonyl]-amino}-benzoic acid

출처 및 근거

ORD 기록
ord-d354cb3404f6455f9ef1382750a86b25
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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