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Dimethylformamide → (1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone

HRID 681292
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HRID 681292 반응식
[CH2:30]1[O:31][c:32]2[cH:33][c:34]([CH:39]3[NH:40][CH2:41][CH2:42][c:43]4[c:44]5[cH:45][cH:46][cH:47][cH:48][c:49]5[nH:50][c:51]43)[cH:35][cH:36][c:37]2[O:38]1.[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:19][C:20]([C:21]([Cl:22])=[O:23])=[O:24].[Cl:52][CH2:53][Cl:54].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([C:14](=[O:15])[OH:16])[o:13]2)[cH:6][cH:7][cH:8]1)([F:17])[F:18].[O:25]=[CH:26][N:27]([CH3:28])[CH3:29]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([C:14](=[O:16])[N:40]3[CH:39]([c:34]4[cH:33][c:32]5[c:37]([cH:36][cH:35]4)[O:38][CH2:30][O:31]5)[c:51]4[c:43]([c:44]5[cH:45][cH:46][cH:47][cH:48][c:49]5[nH:50]4)[CH2:42][CH2:41]3)[o:13]2)[cH:6][cH:7][cH:8]1)([F:17])[F:18]
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참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 2011721-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carbolineHCID 6882815-(3-(Trifluoromethyl)phenyl)-2-furoic acid

생성물 1

HCID 12020635
(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone

출처 및 근거

ORD 기록
ord-ca90b181bca4405a976de1cb5b430160
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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