HRID114594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10924

Butane, 1-iodo-3-methyl-

C5H11I

HCID166653

Hydride

H-

结构：CCOC(=O)CCc1cc(C(=O)c2cc(C(=O)CC(C)C)c[nH]2)ccc1OC(=O)CC(C)C

HCID17816528

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1cc(C(=O)c2cc(C(=O)CC(C)C)cn2CCC(C)C)ccc1OC(=O)CC(C)C

HCID17816472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c638c13e9bd4bbfa9129c0eb69db4f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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