HRID1123397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1noc(C(Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)OC(C)(C)C)n1

HCID22949401

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1noc(C(Cc2ccccc2)NC(=O)C(N)Cc2ccc3ccccc3c2)n1

HCID18318357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55845e3e2cd54a15b83f34280e795dd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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