HRID307414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7852

Propylamine

C3H9N

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(Cl)nc(-c3ccccc3)n2)CC1

HCID87402957

未命名化合物

PRODUCTS

生成物

结构：CCCNc1cc(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)n1

HCID67459740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8733206b450f4fcdae513a337428589d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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