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

HRID 1229618
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HRID 1229618 반응식
[C:31](=[O:32])([O-:33])[O-:34].[CH2:27]([CH:28]=[CH2:29])[Br:30].[CH3:37][CH2:38][OH:39].[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+:35].[K+:36]>>[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])[CH2:29][CH:28]=[CH2:27]
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7

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HCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium Cation2회HCID 7841Allyl bromideHCID 19660Carbonate IonHCID 128324101-(2-isopropylaminopropyl)-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one

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HCID 12832419
1-[2-(N-isopropyl-N-allylamino)propyl]-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one

출처 및 근거

ORD 기록
ord-79f08a08f94145839c633399faf00e0a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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