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

HRID 206703

반응식

HRID 206703 반응식
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH2:61]([Cl:62])[Cl:63].[CH3:57][C:58](=[O:59])[OH:60].[Cl:13][c:14]1[c:15]([NH:16][c:17]2[c:18]([C:34]#[N:35])[cH:19][n:20][c:21]3[cH:22][c:23](-[c:27]4[o:28][c:29]([CH:32]=[O:33])[cH:30][cH:31]4)[cH:24][cH:25][c:26]23)[cH:36][c:37]([O:41][CH3:42])[c:38]([Cl:40])[cH:39]1.[Na+:56].[c:1]1([S:7](=[O:8])(=[O:9])[CH2:10][CH2:11][NH2:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[CH2:10][CH2:11][NH:12][CH2:32][c:29]2[o:28][c:27](-[c:23]3[cH:22][c:21]4[n:20][cH:19][c:18]([C:34]#[N:35])[c:17]([NH:16][c:15]5[c:14]([Cl:13])[cH:39][c:38]([Cl:40])[c:37]([O:41][CH3:42])[cH:36]5)[c:26]4[cH:25][cH:24]3)[cH:31][cH:30]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 35454972-(Benzenesulfonyl)ethan-1-amineHCID 101602934-(2,4-Dichloro-5-methoxyanilino)-7-(5-formylfuran-2-yl)quinoline-3-carbonitrile

생성물 1

HCID 234379057-[5-[[2-(Benzenesulfonyl)ethylamino]methyl]furan-2-yl]-4-(2,4-dichloro-5-methoxyanilino)quinoline-3-carbonitrile

출처 및 근거

ORD 기록
ord-0291e88bdebb492882a98b4eec44835b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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