HRID317117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID11731

1,2-Dimethylpropylamine

C5H13N

结构：CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(C(=O)O)cc1

HCID68466882

未命名化合物

PRODUCTS

生成物

结构：CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(C(=O)NC(C)C(C)C)cc1

HCID25255366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-002e8f0096314db482b79d89a61b288d
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

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