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Acetic Acid → 4-(2,4-Dichloro-5-methoxyanilino)-7-[5-[(2-pyridin-2-ylethylamino)methyl]furan-2-yl]quinoline-3-carbonitrile

HRID 1131030
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반응식

HRID 1131030 반응식
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:58]([Cl:59])[Cl:60].[CH3:54][C:55](=[O:56])[OH:57].[Cl:10][c:11]1[c:12]([NH:13][c:14]2[c:15]([C:31]#[N:32])[cH:16][n:17][c:18]3[cH:19][c:20](-[c:24]4[o:25][c:26]([CH:29]=[O:30])[cH:27][cH:28]4)[cH:21][cH:22][c:23]23)[cH:33][c:34]([O:38][CH3:39])[c:35]([Cl:37])[cH:36]1.[NH2:1][CH2:2][CH2:3][c:4]1[n:5][cH:6][cH:7][cH:8][cH:9]1.[Na+:53]>>[NH:1]([CH2:2][CH2:3][c:4]1[n:5][cH:6][cH:7][cH:8][cH:9]1)[CH2:29][c:26]1[o:25][c:24](-[c:20]2[cH:19][c:18]3[n:17][cH:16][c:15]([C:31]#[N:32])[c:14]([NH:13][c:12]4[c:11]([Cl:10])[cH:36][c:35]([Cl:37])[c:34]([O:38][CH3:39])[cH:33]4)[c:23]3[cH:22][cH:21]2)[cH:28][cH:27]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 6344DichloromethaneHCID 759192-PyridineethanamineHCID 2724942TriacetoxyborohydrideHCID 101602934-(2,4-Dichloro-5-methoxyanilino)-7-(5-formylfuran-2-yl)quinoline-3-carbonitrile

생성물 1

HCID 23438167
4-(2,4-Dichloro-5-methoxyanilino)-7-[5-[(2-pyridin-2-ylethylamino)methyl]furan-2-yl]quinoline-3-carbonitrile

출처 및 근거

ORD 기록
ord-f5214095287c4e74b4c4f7fb141528e8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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