HRID103251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

HCID51358380

tert-Butyl 3-amino-1H-pyrazole-1-carboxylate

C8H13N3O2

结构：COCC(C)Oc1cc(Oc2ccc3c(c2)OCN(C)C3=O)cc(C(=O)O)c1

HCID76586809

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1cc(Oc2ccc3c(c2)OCN(C)C3=O)cc(C(=O)Nc2ccn(C(=O)OC(C)(C)C)n2)c1

HCID178495410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7658faaccf6439aa22b3c85e3ae4c3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:9][CH:10]([CH2:11][O:12][CH3:13])[O:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][c:22]([O:24][c:25]2[cH:26][c:27]3[c:28]([cH:35][cH:36]2)[C:29](=[O:34])[N:30]([CH3:33])[CH2:31][O:32]3)[cH:23]1.[Cl:1][C:2]([N:3]([CH3:4])[CH3:5])=[C:6]([CH3:7])[CH3:8].[Cl:56][CH2:57][Cl:58].[NH2:37][c:38]1[n:39][n:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:41][cH:42]1.[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[CH3:9][CH:10]([CH2:11][O:12][CH3:13])[O:14][c:15]1[cH:16][c:17]([C:18](=[O:20])[NH:37][c:38]2[n:39][n:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:41][cH:42]2)[cH:21][c:22]([O:24][c:25]2[cH:26][c:27]3[c:28]([cH:35][cH:36]2)[C:29](=[O:34])[N:30]([CH3:33])[CH2:31][O:32]3)[cH:23]1