HRID1146742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69864

4-Chloro-N-isopropylaniline

C9H12ClN

结构：CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(C(=O)NCc4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1

HCID68922365

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(C(=O)N(c4ccc(Cl)cc4)C(C)C)ccc3c1)n2C1CCCCC1

HCID68921932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b6e69a0503e4bae92b56a2ad7660b31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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