Acetic Acid → 1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)cyclohexyl)ethyl)-7-methoxy-4-methylquinolin-2(1H)-one

HRID 2319748

반응식

HRID 2319748 반응식
[C:36]([BH3-:37])#[N:38].[C:40](=[O:41])([O-:42])[OH:43].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([CH3:23])[cH:8][c:9](=[O:22])[n:10]([CH2:13][CH2:14][CH:15]3[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[c:11]2[cH:12]1.[CH3:50][C:51](=[O:52])[OH:53].[CH3:54][OH:55].[CH:45]([Cl:46])([Cl:47])[Cl:48].[Na+:39].[Na+:44].[O:24]1[c:25]2[c:26]([cH:30][c:31]([CH2:34][NH2:35])[cH:32][cH:33]2)[O:27][CH2:28][CH2:29]1.[OH2:49]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([CH3:23])[cH:8][c:9](=[O:22])[n:10]([CH2:13][CH2:14][CH:15]3[CH2:16][CH2:17][CH:18]([NH:35][CH2:34][c:31]4[cH:30][c:26]5[c:25]([cH:33][cH:32]4)[O:24][CH2:29][CH2:28][O:27]5)[CH2:19][CH2:20]3)[c:11]2[cH:12]1

참가 물질

10

반응물 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2회HCID 962WaterHCID 6212ChloroformHCID 871022,3-Dihydro-1,4-benzodioxin-6-methylamineHCID 498716Cyano-borohydrideHCID 593978507-methoxy-4-methyl-1-(2-(4-oxocyclohexyl)ethyl)quinolin-2(1H)-one

생성물 1

HCID 593984071-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)cyclohexyl)ethyl)-7-methoxy-4-methylquinolin-2(1H)-one

출처 및 근거

ORD 기록
ord-12ec8dcf137141e6a1b7145ca9793233
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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