HRID148590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID22466

Carbonochloridic acid, hexyl ester

C7H13ClO2

结构：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CN(C)c1ccc(C(=N)N)cc1)n2C)c1ccccn1

HCID18412299

未命名化合物

PRODUCTS

生成物

结构：CCCCCCOC(=O)NC(=N)c1ccc(N(C)Cc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1

HCID140409610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d26ebdf2a574414db3ddde0c59f2888f
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

[CH2:50]([OH:51])[CH3:52].[Cl:40][C:41](=[O:42])[O:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Cl:53][CH2:54][Cl:55].[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]([CH3:30])[c:16]([CH2:18][N:19]([CH3:20])[c:21]4[cH:22][cH:23][c:24]([C:27]([NH2:28])=[NH:29])[cH:25][cH:26]4)[n:17]3)[cH:31][cH:32]2)[CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[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]([CH3:30])[c:16]([CH2:18][N:19]([CH3:20])[c:21]4[cH:22][cH:23][c:24]([C:27](=[NH:28])[NH:29][C:41](=[O:42])[O:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[cH:25][cH:26]4)[n:17]3)[cH:31][cH:32]2)[CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:4][cH:5][cH:6][cH:7]1