HRID137588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID17781790

未命名化合物

HCID21906381

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1

HCID57080991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab6b6cbfe54348c0b86fd2d0ed39e9b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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