HRID1569074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID938

Nicotinic acid

C6H5NO2

HCID6344

Dichloromethane

CH2Cl2

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

HCID18412517

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)c3cccnc3)cc1)n2C)c1ccccn1

HCID140409616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a83f92494ce44be5a6ee6f0c34e6af0b
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

[C:39]([c:40]1[cH:41][n:42][cH:43][cH:44][cH:45]1)(=[O:46])[OH:47].[CH3:48][OH:49].[Cl-:38].[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]([CH3:29])[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][CH2:33][C:34](=[O:35])[O:36][CH3:37])[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:39]([c:40]5[cH:41][n:42][cH:43][cH:44][cH:45]5)=[O:46])[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:4][cH:5][cH:6][cH:7]1