HRID97071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)CCCc1cc(C(=O)c2cccc(N)c2)c2ccccn12

HCID10904244

未命名化合物

结构：CC(C)Cc1ccc(C(Cl)c2ccc(CC(C)C)cc2)cc1

HCID19010817

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCc1cc(C(=O)c2cccc(NC(c3ccc(CC(C)C)cc3)c3ccc(CC(C)C)cc3)c2)c2ccccn12

HCID11072251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9f530cb96544eed941660835a6ff360
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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