HRID677498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID69489

Carbonochloridic acid, pentyl ester

C6H11ClO2

结构：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1OC)n2C)c1ccccc1

HCID18412297

未命名化合物

PRODUCTS

生成物

结构：CCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccc4)ccc3n2C)c(OC)c1

HCID140435596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbd53861122f455a9faa7af3bef4acbe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:50]([OH:51])[CH3:52].[Cl:41][C:42](=[O:43])[O:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Cl:53][CH2:54][Cl:55].[ClH:1].[c:2]1([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:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([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][CH2:46][CH2:47][CH2:48][CH3:49])[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:3][cH:4][cH:5][cH:6][cH:7]1