HRID295401

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

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID66560938

5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C7H7BrN4

结构：CC(C)(C)OC(=O)N1CCc2c1ccc(B1OC(C)(C)C(C)(C)O1)c2F

HCID66823308

1H-Indole-1-carboxylic acid, 4-fluoro-2,3-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

C19H27BFNO4

PRODUCTS

生成物

结构：Cn1cc(-c2ccc3c(c2F)CCN3C(=O)OC(C)(C)C)c2c(N)ncnc21

HCID66823689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bc057515378407fbd261ba5765a000e
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:1][c:2]1[cH:3][n:4]([CH3:12])[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[F:13][c:14]1[c:15]2[c:19]([cH:20][cH:21][c:22]1[B:23]1[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]1)[N:18]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:17][CH2:16]2.[K+:44].[K+:45].[K+:46].[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[OH2:53].[P:39]([O-:40])([O-:41])([O-:42])=[O:43].[Pd:54].[Pd:55]>>[c:2]1(-[c:22]2[c:14]([F:13])[c:15]3[c:19]([cH:20][cH:21]2)[N:18]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:17][CH2:16]3)[cH:3][n:4]([CH3:12])[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12