HRID689060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID313215

5-methylpyrazin-2-amine

C5H7N3

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

结构：O=C(O)c1cc(OCc2ccccc2)cc(Oc2ccc(C(=O)N3CCC3)nc2)c1

HCID53629701

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NC(=O)c2cc(OCc3ccccc3)cc(Oc3ccc(C(=O)N4CCC4)nc3)c2)cn1

HCID53629700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af541adf150242fbb637ff278e635cda
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

[Cl:1][C:2]([N:3]([CH3:4])[CH3:5])=[C:6]([CH3:7])[CH3:8].[Cl:53][CH2:54][Cl:55].[N:9]1([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([O:21][c:22]3[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][c:29]([O:31][CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:30]3)[cH:19][n:20]2)[CH2:10][CH2:11][CH2:12]1.[NH2:39][c:40]1[n:41][cH:42][c:43]([CH3:46])[n:44][cH:45]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[N:9]1([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([O:21][c:22]3[cH:23][c:24]([C:25](=[O:27])[NH:39][c:40]4[n:41][cH:42][c:43]([CH3:46])[n:44][cH:45]4)[cH:28][c:29]([O:31][CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:30]3)[cH:19][n:20]2)[CH2:10][CH2:11][CH2:12]1