HRID89349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7759

Isopropyl chloroacetate

C5H9ClO2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(O)c4)nc4ccccc34)ccc21

HCID56949454

1,1-Dimethylethyl 5-[[2-(3-hydroxyphenyl)-4-quinazolinyl]amino]-1H-indazole-1-carboxylate

C26H23N5O3

PRODUCTS

生成物

结构：CC(C)OC(=O)COc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1

HCID59361962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44af330e68aa4fbda9030f4243ca2d17
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

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