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Hydrochloric Acid → 4-[2-(4-Fluoro-benzoylamino)-4-methoxy-benzothiazol-7-yl]-piperidine-1-carboxylic acid methyl ester

HRID 670327
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인쇄 미리보기

반응식

HRID 670327 반응식
[C:41](=[O:42])([OH:43])[O-:44].[CH2:29]([N:30]([CH2:31][CH3:32])[CH2:33][CH3:34])[CH3:35].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:36][O:37][C:38](=[O:39])[Cl:40].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[s:11][c:12]3[c:13]([n:14]2)[c:15]([O:25][CH3:26])[cH:16][cH:17][c:18]3[CH:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)[cH:27][cH:28]1.[Na+:45].[OH2:51]>>[F:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[s:11][c:12]3[c:13]([n:14]2)[c:15]([O:25][CH3:26])[cH:16][cH:17][c:18]3[CH:19]2[CH2:20][CH2:21][N:22]([C:38]([O:37][CH3:36])=[O:39])[CH2:23][CH2:24]2)[cH:27][cH:28]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6586Methyl chloroformateHCID 8028TetrahydrofuranHCID 8471Triethylamine
HCID 22719541
4-fluoro-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide

생성물 1

HCID 865888494-[2-(4-Fluoro-benzoylamino)-4-methoxy-benzothiazol-7-yl]-piperidine-1-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-42e85a39bec9415fa83e69d4a7756947
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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