HRID177679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID3698726

4-Isopropoxyphenylboronic acid

C9H13BO3

HCID11150691

Tert-butyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylate

C13H19ClN4O2

PRODUCTS

生成物

结构：CC(C)Oc1ccc(-c2nccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID68737137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-361cd0ba289f4470933595188e07b49b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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