HRID318333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1031

1-Propanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

结构：CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID2769618

1-Methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine

C16H26BN3O2

结构：O=C1CN(Cc2c(F)ccc(F)c2Cl)c2cc(Br)cnc2N1

HCID57885862

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CC(=O)N4)cn2)CC1

HCID57886012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d6117bfa06f49dbb22c77f6f1b24940
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][c:4]2[c:5]([n:21][cH:22]1)[NH:6][C:7](=[O:20])[CH2:8][N:9]2[CH2:10][c:11]1[c:12]([Cl:19])[c:13]([F:18])[cH:14][cH:15][c:16]1[F:17].[CH2:64]([OH:65])[CH2:66][CH3:67].[CH3:23][N:24]1[CH2:25][CH2:26][N:27]([c:30]2[n:31][cH:32][c:33]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[cH:34][cH:35]2)[CH2:28][CH2:29]1.[O-:69][C:70]([CH3:71])=[O:72].[O-:73][C:74]([CH3:75])=[O:76].[Pd+2:68].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[c:2]1(-[c:33]2[cH:32][n:31][c:30]([N:27]3[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]3)[cH:35][cH:34]2)[cH:3][c:4]2[c:5]([n:21][cH:22]1)[NH:6][C:7](=[O:20])[CH2:8][N:9]2[CH2:10][c:11]1[c:12]([Cl:19])[c:13]([F:18])[cH:14][cH:15][c:16]1[F:17]