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Hydrochloric Acid → 1-(3-Methoxypyridin-2-yl)-4-(2-phenylthiazol-4-ylmethyl)-[1,4]diazepane

HRID 140025
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반응식

HRID 140025 반응식
[C:31](=[O:32])([O-:33])[O-:34].[CH3:16][O:17][c:18]1[c:19]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29][CH2:30]2)[n:20][cH:21][cH:22][cH:23]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:1][CH2:2][c:3]1[n:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[s:6][cH:7]1.[ClH:14].[ClH:15].[Cs+:35].[Cs+:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH2:2]([c:3]1[n:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[s:6][cH:7]1)[N:27]1[CH2:26][CH2:25][N:24]([c:19]2[c:18]([O:17][CH3:16])[cH:23][cH:22][cH:21][n:20]2)[CH2:30][CH2:29][CH2:28]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 2369694-(Chloromethyl)-2-phenyl-1,3-thiazoleHCID 593661641-(3-Methoxypyridin-2-yl)-1,4-diazepane

생성물 1

HCID 462050061-(3-Methoxypyridin-2-yl)-4-(2-phenylthiazol-4-ylmethyl)-[1,4]diazepane

출처 및 근거

ORD 기록
ord-46a90ec859734fe5be1020c2295f1ade
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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