HRID692269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID24386

Thionyl chloride

Cl2OS

HCID31275

1,4-Dioxane

C4H8O2

HCID280973

Piperazine-2,3-dicarboxylic acid

C6H10N2O4

HCID13234903

Phenanthrene-2-carboxylic acid

C15H10O2

PRODUCTS

生成物

结构：O=C(O)C1NCCN(C(=O)c2ccc3c(ccc4ccccc43)c2)C1C(=O)O

HCID10293029

1-(2-Phenanthrenylcarbonyl)-2,3-piperazinedicarboxylic acid

C21H18N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2be05bb6749b45549eecbb8bb330a937
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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