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Pyridine → 5-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-7-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylic acid tert-butyl ester

HRID 1132948
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HRID 1132948 반응식
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[c:19]2[c:20]([cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]2)[CH:21]([NH:25][CH2:26][c:27]2[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]2)[CH2:22][CH2:23][CH2:24]1.[CH3:1][C:2]([Cl:3])=[O:4].[Cl:49][CH2:50][Cl:51].[cH:5]1[cH:6][cH:7][n:8][cH:9][cH:10]1>>[CH3:1][C:2](=[O:4])[N:25]([CH:21]1[c:20]2[c:19]([cH:44][cH:43][c:42]([C:45]([F:46])([F:47])[F:48])[cH:41]2)[N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:24][CH2:23][CH2:22]1)[CH2:26][c:27]1[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1
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참가 물질

5

반응물 4

HCID 1049PyridineHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 86616081(+/-)-t-Butyl-5-(3,5-bistrifluoromethylbenzylamino)-7-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

생성물 1

HCID 590030995-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-7-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-556c4d8c918c464a9bbd9050e833eade
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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