HRID1213190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1086

Dithionite

O4S2-2

HCID1100

Sulfurous acid

H2O3S

HCID6342

Acetonitrile

C2H3N

HCID9559

Tetrapropylammonium

C12H28N+

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

结构：Cc1cc(C)cc(-c2cc(C(=O)NCCCCCCCCc3ccccc3)cc(-c3cc(C)cc(C)c3)c2OCCO)c1

HCID22237505

未命名化合物

HCID178527104

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2cc(C(=O)NCCCCCCCCc3ccccc3)cc(-c3cc(C)cc(C)c3)c2OCC(=O)O)c1

HCID9873259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee8cbc78f1e446f99adc27c4f8da6e8e
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

[CH3:44][N+:45]1([O-:46])[CH2:47][CH2:49][O:48][CH2:50][CH2:51]1.[CH3:65][C:66]#[N:67].[CH3:68][CH2:69][CH2:70][N+:71]([CH2:72][CH2:73][CH3:74])([CH2:75][CH2:76][CH3:77])[CH2:78][CH2:79][CH3:80].[Na+:59].[Na+:64].[O:81]=[Ru:82](=[O:83])([O-:84])=[O:85].[OH2:52].[S:53]([S:54]([O-:55])=[O:56])([O-:57])=[O:58].[S:60](=[O:61])([OH:62])[OH:63].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]([c:17]2[cH:18][c:19](-[c:35]3[cH:36][c:37]([CH3:42])[cH:38][c:39]([CH3:41])[cH:40]3)[c:20]([O:31][CH2:32][CH2:33][OH:34])[c:21](-[c:23]3[cH:24][c:25]([CH3:30])[cH:26][c:27]([CH3:29])[cH:28]3)[cH:22]2)=[O:43])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]([c:17]2[cH:18][c:19](-[c:35]3[cH:36][c:37]([CH3:42])[cH:38][c:39]([CH3:41])[cH:40]3)[c:20]([O:31][CH2:32][C:33](=[O:34])[OH:48])[c:21](-[c:23]3[cH:24][c:25]([CH3:30])[cH:26][c:27]([CH3:29])[cH:28]3)[cH:22]2)=[O:43])[cH:2][cH:3][cH:4][cH:5][cH:6]1