HRID315625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID9253

Cyclopentane

C5H10

HCID81531

Diisopropylethylamine

C8H19N

结构：CC1(C)CN(C(=O)C(N)CCCNC(=O)OCc2ccccc2)CCC1(O)c1ccc(Cl)cc1

HCID178428668

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CN(C(=O)C(CCCNC(=O)OCc2ccccc2)NC(=O)C2CCCC2)CCC1(O)c1ccc(Cl)cc1

HCID178428656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3635de0399df4bfbb92c8565fecf06be
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:36](=[O:37])([Cl:38])[Cl:39].[CH2:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:54][CH2:55][Cl:56].[ClH:1].[NH2:2][CH:3]([CH2:4][CH2:5][CH2:6][NH:7][C:8]([O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17])[C:18](=[O:19])[N:20]1[CH2:21][C:22]([CH3:34])([CH3:35])[C:23]([OH:26])([c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[CH2:24][CH2:25]1>>[NH:2]([CH:3]([CH2:4][CH2:5][CH2:6][NH:7][C:8]([O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17])[C:18](=[O:19])[N:20]1[CH2:21][C:22]([CH3:34])([CH3:35])[C:23]([OH:26])([c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[CH2:24][CH2:25]1)[C:36](=[O:37])[CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1