HRID2321441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7680

Benzeneacetamide

C8H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1

HCID23153058

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1

HCID23152986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dff4ad73025479c89304f4ec3aead51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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