HRID122717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID75452

4-Methoxybenzylamine

C8H11NO

结构：COc1ccc(Cn2nc(C(=O)OC(C)(C)C)c3ccc(F)nc32)cc1

HCID56833644

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ccc3c(C(=O)OC(C)(C)C)nn(Cc4ccc(OC)cc4)c3n2)cc1

HCID56834061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-987d14cd2df8473ea2ac7986270200bb
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

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