HRID287626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID6386

tert-Butyl alcohol

C4H10O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID612040

2-Bromobenzothiazole

C7H4BrNS

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID59327169

未命名化合物

PRODUCTS

生成物

结构：c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c(-c2ccncc2)c1

HCID59326934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5092aa064b5e40ab935d088d42e157ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:21][c:22]1[s:23][c:24]2[c:25]([n:26]1)[cH:27][cH:28][cH:29][cH:30]2.[C:56](=[O:57])([O-:58])[O-:59].[C:69]([OH:70])([CH3:71])([CH3:72])[CH3:73].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[Cs+:60].[Cs+:61].[Pd+2:78].[n:1]1[cH:2][cH:3][c:4](-[c:7]2[c:8]([O:13][c:14]3[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]3)[n:9][cH:10][cH:11][cH:12]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:7]2[c:8]([O:13][c:14]3[cH:15][cH:16][c:17]([NH:20][c:22]4[s:23][c:24]5[c:25]([n:26]4)[cH:27][cH:28][cH:29][cH:30]5)[cH:18][cH:19]3)[n:9][cH:10][cH:11][cH:12]2)[cH:5][cH:6]1