HRID94758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID3947626

2-Pyridyl trifluoromethanesulfonate

C6H4F3NO3S

结构：COC(=O)c1cccc2ccn(Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c12

HCID58307051

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc2ccn(Cc3ccc(-c4ccccn4)cc3)c12

HCID58306536

Methyl 1-[[4-(2-pyridinyl)phenyl]methyl]-1H-indole-7-carboxylate

C22H18N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-877b4b3f3dc541bc9dd7611f39c84bb9
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

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