HRID1547024

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：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1OC)n2C)c1ccccn1

HCID18412589

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)OCC)cc1OC)n2C)c1ccccn1

HCID140435597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de8d18d31e214e97a6ee0735aca1227d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:47]([OH:48])[CH3:49].[Cl:41][C:42](=[O:43])[O:44][CH2:45][CH3:46].[Cl:50][CH2:51][Cl:52].[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]([CH3:31])[c:16]([CH2:18][NH:19][c:20]4[c:21]([O:29][CH3:30])[cH:22][c:23]([C:26]([NH2:27])=[NH:28])[cH:24][cH:25]4)[n:17]3)[cH:32][cH:33]2)[CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[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]([CH3:31])[c:16]([CH2:18][NH:19][c:20]4[c:21]([O:29][CH3:30])[cH:22][c:23]([C:26](=[NH:27])[NH:28][C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:24][cH:25]4)[n:17]3)[cH:32][cH:33]2)[CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:4][cH:5][cH:6][cH:7]1