HRID1200954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID31348

Citrate

C6H5O7-3

HCID81531

Diisopropylethylamine

C8H19N

HCID59551734

未命名化合物

PRODUCTS

产物

HCID58770714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-471a8d6530d040d69096bafe42f481d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:41]([O-:42])(=[O:43])[CH2:44][C:45]([CH2:46][C:47]([O-:48])=[O:49])([C:50]([O-:51])=[O:52])[OH:53].[CH3:12][O:13][c:14]1[cH:15][c:16]2[c:17]([CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[n:18][cH:19][n:20][c:21]2[cH:22][c:23]1[O:24][CH3:25].[CH3:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][C:2]([Cl:3])=[O:4].[Cl:57][CH2:58][Cl:59].[Na+:54].[Na+:55].[Na+:56]>>[Cl:1][C:2](=[O:4])[N:29]1[CH2:28][CH2:27][CH:26]([c:17]2[c:16]3[cH:15][c:14]([O:13][CH3:12])[c:23]([O:24][CH3:25])[cH:22][c:21]3[n:20][cH:19][n:18]2)[CH2:31][CH2:30]1