HRID2160400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID11522

Benzene, 1-bromo-4-iodo-

C6H4BrI

HCID24290

未命名化合物

HCID31268

Pyrrolidine

C4H9N

结构：C#CCOc1ccc(OCC2CCCN2C(=O)OC(C)(C)C)cc1

HCID86619656

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1COc1ccc(OCC#Cc2ccc(Br)cc2)cc1

HCID68429658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42a803d68efa40febe3992ee2f594f9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:25][c:26]1[cH:27][cH:28][c:29]([I:32])[cH:30][cH:31]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][C:23]#[CH:24])[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1.[CH2:33]1[CH2:34][NH:35][CH2:36][CH2:37]1.[OH2:41].[Pd:38]([Cl:39])[Cl:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][C:23]#[C:24][c:29]3[cH:28][cH:27][c:26]([Br:25])[cH:31][cH:30]3)[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1