HRID1147822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

结构：CC(=O)c1ccc(C2CC(C)(C)CC(C)(C)C2)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID59769445

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(C2CC(C)(C)CC(C)(C)C2)c(N2CCNCC2)c1

HCID23141655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5bed48451b3425ba8f9c4d3f73f1c91
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:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:23]3[CH2:24][C:25]([CH3:31])([CH3:32])[CH2:26][C:27]([CH3:29])([CH3:30])[CH2:28]3)[cH:16][cH:17][c:18]([C:20]([CH3:21])=[O:22])[cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[ClH:33].[Na+:40].[OH:41][C:42](=[O:43])[O-:44]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:23]3[CH2:24][C:25]([CH3:31])([CH3:32])[CH2:26][C:27]([CH3:29])([CH3:30])[CH2:28]3)[cH:16][cH:17][c:18]([C:20]([CH3:21])=[O:22])[cH:19]2)[CH2:12][CH2:13]1