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Hydrochloric Acid → 3-carboethoxy-3-[4-(3,4-dimethoxyphenyl)-4-isopropyl-4-cyanobutyl]-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline

HRID 667272
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HRID 667272 반응식
[C:1](=[O:2])([O:3][CH2:4][CH3:5])[CH:6]1[N:7]([CH3:20])[CH2:8][c:9]2[cH:10][c:11]([O:18][CH3:19])[c:12]([O:16][CH3:17])[cH:13][c:14]2[CH2:15]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:22][CH:23]([N-:24][CH:25]([CH3:26])[CH3:27])[CH3:28].[CH3:29][O:30][c:31]1[cH:32][c:33]([C:39]([C:40]#[N:41])([CH2:42][CH2:43][CH2:44][I:45])[CH:46]([CH3:47])[CH3:48])[cH:34][cH:35][c:36]1[O:37][CH3:38].[ClH:49].[Li+:21]>>[C:1](=[O:2])([O:3][CH2:4][CH3:5])[C:6]1([CH2:44][CH2:43][CH2:42][C:39]([c:33]2[cH:32][c:31]([O:30][CH3:29])[c:36]([O:37][CH3:38])[cH:35][cH:34]2)([C:40]#[N:41])[CH:46]([CH3:47])[CH3:48])[N:7]([CH3:20])[CH2:8][c:9]2[cH:10][c:11]([O:18][CH3:19])[c:12]([O:16][CH3:17])[cH:13][c:14]2[CH2:15]1
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 140271622-(3,4-Dimethoxyphenyl)-2-isopropyl-2-(3-iodopropyl)acetonitrileHCID 202022163-carboethoxy-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline

생성물 1

HCID 20202228
3-carboethoxy-3-[4-(3,4-dimethoxyphenyl)-4-isopropyl-4-cyanobutyl]-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline

출처 및 근거

ORD 기록
ord-c7849ee849a545ffa3c5854212c7b443
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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