HRID683501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID103787

6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-

C10H19N

结构：COc1ccccc1N1CCN(CCC(C(=O)O)c2ccccc2)CC1

HCID9863428

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(CCC(C(=O)N2CC3(C)CC2CC(C)(C)C3)c2ccccc2)CC1

HCID19968357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7f0bfe0b44e421ab36a117cdfa6831f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:60]([Cl:61])[Cl:62].[CH3:1][O:2][c:3]1[c:4]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH:17]([C:18](=[O:19])[OH:20])[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:13][CH2:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:27][C:28]12[CH2:29][C:30]([CH3:36])([CH3:37])[CH2:31][CH:32]([NH:33][CH2:34]1)[CH2:35]2.[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[ClH:38].[ClH:59].[Na+:58].[OH-:57]>>[CH3:1][O:2][c:3]1[c:4]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH:17]([C:18](=[O:19])[N:33]3[CH:32]4[CH2:31][C:30]([CH3:36])([CH3:37])[CH2:29][C:28]([CH3:27])([CH2:34]3)[CH2:35]4)[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:13][CH2:14]2)[cH:5][cH:6][cH:7][cH:8]1