HRID143716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

结构：CC(=O)Oc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1

HCID66826370

未命名化合物

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90d833cdd6e14442878a8b0f34cc3568
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7](-[c:11]2[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]([NH:21][c:22]3[cH:23][c:24]4[cH:25][n:26][n:27]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:28]4[cH:29][cH:30]3)[n:20]2)[cH:8][cH:9][cH:10]1.[CH3:40][OH:41].[NH4+:39].[OH-:38]>>[OH:4][c:5]1[cH:6][c:7](-[c:11]2[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]([NH:21][c:22]3[cH:23][c:24]4[cH:25][n:26][n:27]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:28]4[cH:29][cH:30]3)[n:20]2)[cH:8][cH:9][cH:10]1