HRID292115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID3301

Ethylenediamine

C2H8N2

HCID140060

Acetamide, 2-methoxy-

C3H7NO2

结构：O=C(Nc1ccc(I)cc1)C1CC(O)CN1C(=O)Nc1ccc(Cl)cc1

HCID178522167

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)N(C)c1ccc(NC(=O)C2CC(O)CN2C(=O)Nc2ccc(Cl)cc2)cc1

HCID178496441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f36886d74bfc448c9c952214aaee92bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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