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Hydrochloric Acid → 1-[2-(N-isopropyl-N-benzylamino)-propyl]-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one

HRID 1224858
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HRID 1224858 반응식
[Br:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:41][CH2:42][OH:43].[CH:2]([CH3:3])([CH3:4])[NH:5][CH:6]([CH2:7][C:8]1=[C:14]2[CH:13]([CH2:12][CH2:11][NH:10][C:9]1=[O:25])[CH2:22][CH2:21][c:20]1[c:15]2[cH:16][cH:17][c:18]([O:23][CH3:24])[cH:19]1)[CH3:26].[ClH:1].[K+:31].[K+:32]>>[CH:2]([CH3:3])([CH3:4])[N:5]([CH:6]([CH2:7][C:8]1=[C:14]2[CH:13]([CH2:12][CH2:11][NH:10][C:9]1=[O:25])[CH2:22][CH2:21][c:20]1[c:15]2[cH:16][cH:17][c:18]([O:23][CH3:24])[cH:19]1)[CH3:26])[CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1
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반응물 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium Cation2회HCID 7498Benzyl BromideHCID 19660Carbonate IonHCID 128324101-(2-isopropylaminopropyl)-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one

생성물 1

HCID 12832423
1-[2-(N-isopropyl-N-benzylamino)-propyl]-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one

출처 및 근거

ORD 기록
ord-1311e4ffb0f74c62babadf7ca875bdab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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