HRID2336511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

反应SMILES：COP(=O)(CC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)OC

HCID21993678

未命名化合物

HCID21994144

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCC(CCC(=O)C=CC2=Cc3cnc4cccc(n34)S2)CC1

HCID70246735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-357540b8ae66471396141d3cb599a87c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:1][O:2][P:3]([O:4][CH3:5])(=[O:6])[CH2:7][C:8]([CH2:9][CH2:10][CH:11]1[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]1)=[O:24].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[H-:25].[Na+:26].[OH2:53].[n:27]1[cH:28][c:29]2[cH:30][c:31]([CH:39]=[O:40])[s:32][c:33]3[cH:34][cH:35][cH:36][c:37]1[n:38]23>>[CH:7]([C:8]([CH2:9][CH2:10][CH:11]1[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]1)=[O:24])=[CH:39][c:31]1[cH:30][c:29]2[cH:28][n:27][c:37]3[cH:36][cH:35][cH:34][c:33]([s:32]1)[n:38]23