HRID2138093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID12919159

5-Chloro-3-methyl-1,2,4-thiadiazole

C3H3ClN2S

HCID86656699

未命名化合物

PRODUCTS

生成物

结构：Cc1nsc(N2CCC(Nc3nc4c(s3)CCCC4c3ccccc3)CC2)n1

HCID53354635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cce4dac96c92438fa881d99f332bfa4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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