HRID85915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7813

4-Methylbenzenamine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CCOC(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21

HCID264548

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1

HCID22013019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1709c00980184a7e871d9a1c67dcf50a
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

[CH2:15]([Li:16])[CH2:17][CH2:18][CH3:19].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[N:27]1[C:28](=[O:43])[C:29]([OH:36])([CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]21.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[CH3:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:38]([CH2:37][C:29]2([OH:36])[C:28](=[O:43])[N:27]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:35]3[c:30]2[cH:31][cH:32][cH:33][cH:34]3)=[O:39])[cH:7][cH:8]1