HRID1136063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID80826

4-(Aminomethyl)-N,N-dimethylaniline

C9H14N2

HCID94429

Triphosgene

C3Cl6O3

HCID1605515

Benzyl 4-aminobutanoate

C11H15NO2

PRODUCTS

生成物

结构：CN(C)c1ccc(CNC(=O)NCCCC(=O)OCc2ccccc2)cc1

HCID67006826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-450b566ab8ab468a8371ce93201da45b
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

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][CH2:22][CH2:23][NH2:24])=[O:25].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:47][N:48]([c:49]1[cH:50][cH:51][c:52]([CH2:53][NH2:54])[cH:55][cH:56]1)[CH3:57].[Cl:26][C:27]([Cl:28])([O:29][C:30]([O:31][C:32]([Cl:33])([Cl:34])[Cl:35])=[O:36])[Cl:37].[Cl:58][CH2:59][Cl:60].[ClH:45].[ClH:46].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][CH2:22][CH2:23][NH:24][C:30](=[O:36])[NH:54][CH2:53][c:52]1[cH:51][cH:50][c:49]([N:48]([CH3:47])[CH3:57])[cH:56][cH:55]1)=[O:25]