HRID1127290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID14496

Cyclobutanone

C4H6O

HCID2724942

未命名化合物

结构：CNC(=O)c1ccc(Oc2ccc3c(c2)CCNCC3)c(OC)c1

HCID57440300

3-Methoxy-N-methyl-4-[(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]benzamide

C19H22N2O3

PRODUCTS

生成物

结构：CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)c(OC)c1

HCID10317649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72dfecb440424f80889ab056ecdff081
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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