HRID163727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID178511988

未命名化合物

PRODUCTS

生成物

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID44104

N-(1-Methyl-2-pyrrolidinylidene)-N'-phenyl-1-pyrrolidinecarboximidamide

C16H22N4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cdf8ccc3fb84693a326fe0acacceb78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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