HRID1540022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID9321

Hydrazine

H4N2

结构：CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1

HCID57925844

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN)cc1

HCID57925864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34665865c5df42449335c98e2ede83c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:45][CH2:46][OH:47].[NH2:43][NH2:44].[O:1]=[C:2]1[N:3]([CH2:12][c:13]2[cH:14][cH:15][c:16]([C:19](=[O:20])[NH:21][c:22]3[cH:23][c:24](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:25][cH:26][c:27]3[NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[cH:17][cH:18]2)[C:10](=[O:11])[c:5]2[c:4]1[cH:9][cH:8][cH:7][cH:6]2.[OH2:42]>>[NH2:3][CH2:12][c:13]1[cH:14][cH:15][c:16]([C:19](=[O:20])[NH:21][c:22]2[cH:23][c:24](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:25][cH:26][c:27]2[NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[cH:17][cH:18]1