HRID213185

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

HCID79037

Tropane

C8H15N

HCID103008

未命名化合物

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)N2C3CCCC2CC3)c2ccccc2)CC1

HCID19968356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-335f0a793c1b422ba2d46aae7c3d7fc3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:71]([Cl:72])[Cl:73].[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][N:28]1[CH:29]2[CH2:30][CH2:31][CH2:32][CH:33]1[CH2:34][CH2:35]2.[CH3:36][N:37]1[CH:38]2[CH2:39][CH:40]([O:41][C:42](=[O:43])[CH3:44])[CH2:45][CH:46]1[CH2:47][CH2:48]2.[CH3:50][N:51]([CH3:52])[CH2:53][CH2:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH3:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[ClH:49].[ClH:70].[Na+:69].[OH-:68]>>[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:20])[N:28]3[CH:29]4[CH2:30][CH2:31][CH2:32][CH:33]3[CH2:34][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