HRID2140009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID19800556

tert-Butyl 5-amino-1H-indazole-1-carboxylate

C12H15N3O2

结构：COCCOc1cc2c(Cl)nc(-c3cccc(OCc4ccccc4)c3)nc2cc1OC

HCID59361926

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2c(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)nc(-c3cccc(OCc4ccccc4)c3)nc2cc1OC

HCID59361896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e09da1886d114229bb86727ed487fec5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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