HRID1548484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID28179

Fluoride

F-

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

HCID2734374

5-Methylthiophene-2-boronic acid

C5H7BO2S

结构：COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID11613376

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(C)s3)ccc2c1

HCID58338555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4d4c32e86844b97a1e3e998c698322b
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

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