HRID288810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID70042

3-Benzyloxybenzyl alcohol

C14H13ClO

HCID166653

Hydride

H-

HCID58224164

未命名化合物

PRODUCTS

生成物

结构：O=C1N(Cc2ccc(OCc3ccccc3)cc2)c2ccccc2C12COc1cc3c(cc12)OCCO3

HCID59352711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f72c5c54ff0a4643817ca5d99c34cc2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][Cl:38])[cH:39][cH:40]1.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[H-:23].[I-:42].[K+:41].[NH:1]1[C:2](=[O:22])[C:3]2([CH2:4][O:5][c:6]3[cH:7][c:8]4[c:9]([cH:14][c:15]32)[O:10][CH2:11][CH2:12][O:13]4)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21.[Na+:24].[OH2:48]>>[N:1]1([CH2:37][c:36]2[cH:35][cH:34][c:33]([O:32][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:40][cH:39]2)[C:2](=[O:22])[C:3]2([CH2:4][O:5][c:6]3[cH:7][c:8]4[c:9]([cH:14][c:15]32)[O:10][CH2:11][CH2:12][O:13]4)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21