HRID1560716

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

HCID16028

Tetrabutylammonium

C16H36N+

HCID28486

Lithium ion

Li+

HCID105144

Palladium(2+)

Pd+2

HCID18403406

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：CC1Cc2cc(OC(F)(F)F)cc(C3COC4(CCC5C(S(=O)(=O)c6ccccc6)CC4(c4ccccc4)N5Cc4ccccc4)C3)c2O1

HCID70152364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-163a956f2d024a85badcc570759061f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[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.[CH2:58]([N+:59]([CH2:60][CH2:61][CH2:62][CH3:63])([CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH3:74].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[CH:53]([O-:54])=[O:55].[Cl-:52].[Cl-:57].[I:35][c:36]1[cH:37][c:38]([O:46][C:47]([F:48])([F:49])[F:50])[cH:39][c:40]2[c:44]1[O:43][CH:42]([CH3:45])[CH2:41]2.[K+:56].[Li+:51].[O-:76][C:77]([CH3:78])=[O:79].[O-:80][C:81]([CH3:82])=[O:83].[OH2:89].[Pd+2:75]>>[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:36]1[cH:37][c:38]([O:46][C:47]([F:48])([F:49])[F:50])[cH:39][c:40]2[c:44]1[O:43][CH:42]([CH3:45])[CH2:41]2)[CH2:28]3