HRID124523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID283

Formic acid, ion(1-)

CHO2-

HCID312

Chloride

Cl-

2 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID28486

Lithium ion

Li+

HCID105144

Palladium(2+)

Pd+2

HCID11395278

未命名化合物

结构：O=S(=O)(c1ccccc1)C1CC2(c3ccccc3)N(Cc3ccccc3)C1CCC21C=CCO1

HCID70152617

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)C1CC2(c3ccccc3)N(Cc3ccccc3)C1CCC21CC(c2cc(OC(F)(F)F)ccc2OCc2ccccc2)CO1

HCID70153084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe6bd613c10c4f698630d6083cbae920
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:86]([O-:87])(=[O:88])[CH3:89].[C:91]([O-:92])(=[O:93])[CH3:94].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[C:10]3([CH2:11][CH2:12][CH:13]1[CH:14]([S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:15]2)[O:25][CH2:26][CH:27]=[CH:28]3.[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][c:43]1[c:44]([I:54])[cH:45][c:46]([O:49][C:50]([F:51])([F:52])[F:53])[cH:47][cH:48]1.[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:69][CH2:70][CH2:71][CH2:72][N+:73]([CH2:74][CH2:75][CH2:76][CH3:77])([CH2:78][CH2:79][CH2:80][CH3:81])[CH2:82][CH2:83][CH2:84][CH3:85].[CH3:96][N:97]([CH3:98])[CH:99]=[O:100].[CH:64]([O-:65])=[O:66].[Cl-:56].[Cl-:68].[K+:67].[Li+:55].[OH2:95].[Pd+2:90]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[C:10]3([CH2:11][CH2:12][CH:13]1[CH:14]([S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:15]2)[O:25][CH2:26][CH:27]([c:44]1[c:43]([O:42][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:48][cH:47][c:46]([O:49][C:50]([F:51])([F:52])[F:53])[cH:45]1)[CH2:28]3