HRID157718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7917

Isopropyl chloroformate

C4H7ClO2

结构：CCOC1CN(C(C)=O)CC1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC

HCID10238466

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(C(=O)OC(C)C)CC1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC

HCID10174394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aec1c960538d42739a64a20a6e0c2a62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1](=[O:2])([CH3:3])[N:4]1[CH2:5][CH:6]([NH:12][c:13]2[n:14][c:15]([CH2:29][CH3:30])[c:16](-[c:21]3[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[n:17][c:18]2[CH2:19][CH3:20])[CH:7]([O:9][CH2:10][CH3:11])[CH2:8]1.[Cl:31][C:32](=[O:33])[O:34][CH:35]([CH3:36])[CH3:37]>>[N:4]1([C:32](=[O:33])[O:34][CH:35]([CH3:36])[CH3:37])[CH2:5][CH:6]([NH:12][c:13]2[n:14][c:15]([CH2:29][CH3:30])[c:16](-[c:21]3[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[n:17][c:18]2[CH2:19][CH3:20])[CH:7]([O:9][CH2:10][CH3:11])[CH2:8]1