HRID1539319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID5462224

Magnesium

结构：O=C1NC(=O)C(c2ccc3c4c2ccn4CC(C(=O)OCc2ccccc2)NC3)=C1c1c[nH]c2ccccc12

HCID67017102

未命名化合物

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)C1Cn2ccc3c(C4C(=O)NC(=O)C4c4c[nH]c5ccccc45)ccc(c32)CN1

HCID178525047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80374a9c3c494eaf955cbd1ce7ff3027
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

[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[CH:12]1[CH2:13][n:14]2[cH:15][cH:16][c:17]3[c:18]([C:25]4=[C:29]([c:30]5[cH:31][nH:32][c:33]6[cH:34][cH:35][cH:36][cH:37][c:38]56)[C:28](=[O:39])[NH:27][C:26]4=[O:40])[cH:19][cH:20][c:21]([c:22]23)[CH2:23][NH:24]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][OH:48].[Mg:1]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[CH:12]1[CH2:13][n:14]2[cH:15][cH:16][c:17]3[c:18]([CH:25]4[C:26](=[O:40])[NH:27][C:28](=[O:39])[CH:29]4[c:30]4[cH:31][nH:32][c:33]5[cH:34][cH:35][cH:36][cH:37][c:38]45)[cH:19][cH:20][c:21]([c:22]23)[CH2:23][NH:24]1