HRID2349453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

结构：O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCCBr

HCID86760201

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O

HCID24885316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20dc21923a06416bacf7e47ec136addb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6]2[cH:7][cH:8][c:9]([OH:29])[cH:10][c:11]2[c:12]2[c:13]3[c:14]([c:15](-[c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[cH:16][c:17]12)[C:24](=[O:28])[NH:25][C:26]3=[O:27].[C:34](=[O:35])([O-:36])[O-:37].[CH3:30][NH:31][CH3:32].[CH3:40][C:41]([N:42]([CH3:43])[CH3:44])=[O:45].[ClH:33].[K+:38].[K+:39].[OH2:46]>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6]2[cH:7][cH:8][c:9]([OH:29])[cH:10][c:11]2[c:12]2[c:13]3[c:14]([c:15](-[c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[cH:16][c:17]12)[C:24](=[O:28])[NH:25][C:26]3=[O:27])[N:31]([CH3:30])[CH3:32]