Acetic Acid → 7-[5-[[Bis(2-hydroxyethyl)amino]methyl]furan-2-yl]-4-(2,4-dichloro-5-methoxyanilino)quinoline-3-carbonitrile

HRID 2142566

반응식

HRID 2142566 반응식
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:56]([Cl:57])[Cl:58].[CH3:52][C:53](=[O:54])[OH:55].[Cl:8][c:9]1[c:10]([NH:11][c:12]2[c:13]([C:29]#[N:30])[cH:14][n:15][c:16]3[cH:17][c:18](-[c:22]4[o:23][c:24]([CH:27]=[O:28])[cH:25][cH:26]4)[cH:19][cH:20][c:21]23)[cH:31][c:32]([O:36][CH3:37])[c:33]([Cl:35])[cH:34]1.[Na+:51].[OH:1][CH2:2][CH2:3][NH:4][CH2:5][CH2:6][OH:7]>>[OH:1][CH2:2][CH2:3][N:4]([CH2:5][CH2:6][OH:7])[CH2:27][c:24]1[o:23][c:22](-[c:18]2[cH:17][c:16]3[n:15][cH:14][c:13]([C:29]#[N:30])[c:12]([NH:11][c:10]4[c:9]([Cl:8])[cH:34][c:33]([Cl:35])[c:32]([O:36][CH3:37])[cH:31]4)[c:21]3[cH:20][cH:19]2)[cH:26][cH:25]1

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 8113DiethanolamineHCID 2724942TriacetoxyborohydrideHCID 101602934-(2,4-Dichloro-5-methoxyanilino)-7-(5-formylfuran-2-yl)quinoline-3-carbonitrile

생성물 1

HCID 234382807-[5-[[Bis(2-hydroxyethyl)amino]methyl]furan-2-yl]-4-(2,4-dichloro-5-methoxyanilino)quinoline-3-carbonitrile

출처 및 근거

ORD 기록
ord-49a3e04d100e4e98b9405192b1ff95e9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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