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Potassium Cation → 2-chloro-5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

HRID 1129515
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HRID 1129515 반응식
[CH3:1][CH:2]1[CH2:3][N:4]([C:5](=[O:6])[C:7]([F:8])([F:9])[F:10])[CH2:11][CH2:12][c:13]2[n:14][c:15]([OH:16])[cH:17][cH:18][c:19]21.[CH3:50][OH:51].[Cl:25][c:26]1[cH:27][cH:28][c:29]2[c:30]([n:43]1)[CH2:31][CH2:32][N:33]([C:37](=[O:38])[C:39]([F:40])([F:41])[F:42])[CH2:34][CH:35]2[CH3:36].[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[P:20]([Cl:21])([Cl:22])([Cl:23])=[O:24]>>[Cl:25][c:26]1[cH:27][cH:28][c:29]2[c:30]([n:43]1)[CH2:31][CH2:32][NH:33][CH2:34][CH:35]2[CH3:36]
참가 물질출처 및 근거반응 노트

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HCID 813Potassium Cation2회HCID 887MethanolHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24813Phosphorus oxychlorideHCID 236542012-chloro-5-methyl-7-(trifluoroacetyl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepineHCID 178430708HCID 178430708, 화합물

생성물

출처 및 근거

ORD 기록
ord-25fd8d4261a849de86df1ff44a6e3d26
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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HCID 236538132-chloro-5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine