HRID90262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：CNC(=O)c1ccc2cc(C(O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID57465805

未命名化合物

PRODUCTS

生成物

HCID18769037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b780be1815c743e79fbd4567d158f349
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

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