HRID2157033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID589711

未命名化合物

HCID2759361

3-Iodobenzyl bromide

C7H6BrI

HCID3028194

Lithium

结构：CC1C(=O)OC(c2ccccc2)N1C(=O)OCc1ccccc1

HCID53400837

未命名化合物

PRODUCTS

生成物

结构：CC1(Cc2cccc(I)c2)C(=O)OC(c2ccccc2)N1C(=O)OCc1ccccc1

HCID178421965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-874b2c020e114e84ad34687d0eaa96ce
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

[C:43](=[O:44])([OH:45])[O-:46].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][CH:2]1[N:3]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH:4]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:5][C:6]1=[O:7].[CH3:33][SiH:34]([CH3:35])[N:36]([CH3:37])[Si:38]([CH3:39])([CH3:40])[CH3:41].[I:24][c:25]1[cH:26][c:27]([CH2:28][Br:29])[cH:30][cH:31][cH:32]1.[Li:42].[Na+:47]>>[CH3:1][C:2]1([CH2:28][c:27]2[cH:26][c:25]([I:24])[cH:32][cH:31][cH:30]2)[N:3]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH:4]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:5][C:6]1=[O:7]