HRID2314936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccncc3)c2c1

HCID54397097

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCN(CCCCc3ccncc3)C(=O)OCc3ccccc3)c2c1

HCID54103519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-063870ffc6ee4f5d835a7449edcdb3e7
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

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