HRID1152487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID31214

Ethyl orthoformate

C7H16O3

HCID16099178

2-Cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide

C10H8Cl2N2O2

HCID58999794

4-Methoxy-3-[3-(4-methylpiperazin-1-yl)propoxy]aniline

C15H25N3O2

PRODUCTS

生成物

结构：COc1cc(NC(=O)C(C#N)=CNc2ccc(OC)c(OCCCN3CCN(C)CC3)c2)c(Cl)cc1Cl

HCID69310847

2-Cyano-N-(2,4-dichloro-5-methoxyphenyl)-3-[[4-methoxy-3-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]amino]-2-propenamide

C26H31Cl2N5O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-701b16d6e8c345aea61305cc70bb0036
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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