HRID112039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NCCC(C(=O)O)c1ccc(Cl)c(Cl)c1

HCID22147953

未命名化合物

HCID23571038

1,1-Dimethylethyl 3,5-diamino-1H-indazole-1-carboxylate

C12H16N4O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(C(=O)Nc1ccc2c(c1)c(N)nn2C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1

HCID23571041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebac7a29e0fb4b89af18db04a1293ca1
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

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