HRID2328312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：COC(=O)CN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1

HCID18412395

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CC(=O)OC)c4ccccn4)ccc3n2C)cc1

HCID140409607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba0ce6a4882844cc894e0729918c7d80
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

[CH2:43]([OH:44])[CH3:45].[Cl:37][C:38](=[O:39])[O:40][CH2:41][CH3:42].[Cl:46][CH2:47][Cl:48].[ClH:1].[n:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:29])[c:16]([CH2:18][NH:19][c:20]4[cH:21][cH:22][c:23]([C:26]([NH2:27])=[NH:28])[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][C:33](=[O:34])[O:35][CH3:36])[cH:4][cH:5][cH:6][cH:7]1>>[n:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:29])[c:16]([CH2:18][NH:19][c:20]4[cH:21][cH:22][c:23]([C:26](=[NH:27])[NH:28][C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][C:33](=[O:34])[O:35][CH3:36])[cH:4][cH:5][cH:6][cH:7]1