HRID187987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID568599

未命名化合物

HCID178418339

未命名化合物

结构：CC(C)(C)c1cccc2c1CCCC2(O)O[SiH](c1ccccc1)c1ccccc1

HCID178440716

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cccc2c1CCCC2(OCc1nc(-c2ccccc2)c(-c2ccccc2)o1)O[SiH](c1ccccc1)c1ccccc1

HCID178440715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df129160c090448e946d35db33968ac2
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

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