HRID283211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID70937

1-Pyrrolidinecarbonyl chloride

C5H8ClNO

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CNC2CC2)C(C)C)ccc1OC

HCID68616406

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CN(C(=O)N2CCCC2)C2CC2)C(C)C)ccc1OC

HCID68617024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9495077160c4d069b35a5fe47c2c590
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

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