HRID290928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID15765

6-Methylpyridin-2-amine

C6H8N2

HCID105144

Palladium(2+)

Pd+2

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4574913

未命名化合物

结构：CN1CCN(c2cc(N3CCc4ccc(Br)cc4C3)nc(N)n2)CC1

HCID46701048

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(Nc2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)CC3)n1

HCID46701254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ebf12a5ba8d40958bb373be6c818660
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][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH2:7][CH2:6]2.[C:70]([O-:71])(=[O:72])[CH3:73].[C:75]([O-:76])(=[O:77])[CH3:78].[CH3:26][c:27]1[cH:28][cH:29][cH:30][c:31]([NH2:33])[n:32]1.[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH:45]1([P:46]([CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2-[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[K+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[Pd+2:74]>>[c:2]1([NH:33][c:31]2[cH:30][cH:29][cH:28][c:27]([CH3:26])[n:32]2)[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH2:7][CH2:6]2