HRID2162400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID104748

Sulfurous acid, ion(1-)

HO3S-

结构：COc1ccc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)cn1

HCID59352559

未命名化合物

PRODUCTS

生成物

结构：O=C1N(Cc2ccc(=O)[nH]c2)c2ccccc2C12COc1cc3c(cc12)OCCO3

HCID59352459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-409169af4336489084ec45fe052c6f2c
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

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][N:10]2[C:11](=[O:31])[C:12]3([CH2:13][O:14][c:15]4[cH:16][c:17]5[c:18]([cH:23][c:24]43)[O:19][CH2:20][CH2:21][O:22]5)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]32)[cH:7][n:8]1.[CH3:44][C:45]#[N:46].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:34][Si:35]([CH3:36])([CH3:37])[CH3:38].[I-:33].[Na+:32].[Na+:43].[OH2:47].[S:39](=[O:40])([OH:41])[O-:42]>>[O:2]=[c:3]1[cH:4][cH:5][c:6]([CH2:9][N:10]2[C:11](=[O:31])[C:12]3([CH2:13][O:14][c:15]4[cH:16][c:17]5[c:18]([cH:23][c:24]43)[O:19][CH2:20][CH2:21][O:22]5)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]32)[cH:7][nH:8]1