HRID1544584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7912

Diisopropylamine

C6H15N

结构：COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(N)c2n1

HCID9821104

2,6-Dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolinamine

C19H17F3N2O3

HCID12368203

4-Iodo-1-phthalimido-pentane

C13H14INO2

PRODUCTS

生成物

结构：COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN3C(=O)c4ccccc4C3=O)c2n1

HCID13745927

2-[4-({2,6-Dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}amino)pentyl]-1H-isoindole-1,3(2H)-dione

C32H30F3N3O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f275c21f779f49bd8414c80b814857ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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