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Acetic Acid → 1-[[5-[3-Cyano-4-(2,4-dichloro-5-methoxyanilino)quinolin-7-yl]furan-2-yl]methyl]pyrrolidine-2-carboxamide

HRID 1224096
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HRID 1224096 반응식
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:57]([Cl:58])[Cl:59].[CH3:53][C:54](=[O:55])[OH:56].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:9][c:10]1[c:11]([NH:12][c:13]2[c:14]([C:30]#[N:31])[cH:15][n:16][c:17]3[cH:18][c:19](-[c:23]4[o:24][c:25]([CH:28]=[O:29])[cH:26][cH:27]4)[cH:20][cH:21][c:22]23)[cH:32][c:33]([O:37][CH3:38])[c:34]([Cl:36])[cH:35]1.[NH:1]1[CH:2]([C:3](=[O:4])[NH2:5])[CH2:6][CH2:7][CH2:8]1.[Na+:52]>>[N:1]1([CH2:28][c:25]2[o:24][c:23](-[c:19]3[cH:18][c:17]4[n:16][cH:15][c:14]([C:30]#[N:31])[c:13]([NH:12][c:11]5[c:10]([Cl:9])[cH:35][c:34]([Cl:36])[c:33]([O:37][CH3:38])[cH:32]5)[c:22]4[cH:21][cH:20]3)[cH:27][cH:26]2)[CH:2]([C:3](=[O:4])[NH2:5])[CH2:6][CH2:7][CH2:8]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 923Sodium IonHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 550774Pyrrolidine-2-carboxamideHCID 2724942TriacetoxyborohydrideHCID 101602934-(2,4-Dichloro-5-methoxyanilino)-7-(5-formylfuran-2-yl)quinoline-3-carbonitrile

생성물 1

HCID 234379311-[[5-[3-Cyano-4-(2,4-dichloro-5-methoxyanilino)quinolin-7-yl]furan-2-yl]methyl]pyrrolidine-2-carboxamide

출처 및 근거

ORD 기록
ord-742381d4e0ae49d2968d982c446d4dfb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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