HRID1535147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID23092463

未命名化合物

结构：Cc1c(B2OC(C)(C)C(C)(C)O2)n(C(=O)OC(C)(C)C)c2ccccc12

HCID67148908

1,1-Dimethylethyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

C20H28BNO4

PRODUCTS

生成物

结构：COc1nnc(-c2ccncc2)cc1-c1c(C)c2ccccc2n1C(=O)OC(C)(C)C

HCID67148566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-698b0f3c68c84a359fcf49a8d135a65f
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:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[n:23]1[c:24]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[c:25]([CH3:32])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]12.[C:42](=[O:43])([O-:44])[O-:45].[CH3:67][O:68][CH2:69][CH2:70][O:71][CH3:72].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[I:1][c:2]1[c:3]([O:14][CH3:15])[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:7]1.[K+:46].[K+:47].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[OH2:73].[Pd+2:74].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:2]1(-[c:24]2[n:23]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[c:31]3[c:26]([c:25]2[CH3:32])[cH:27][cH:28][cH:29][cH:30]3)[c:3]([O:14][CH3:15])[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:7]1