HRID2339589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID192794

Methyl beta-alanate

C4H9NO2

结构：CC(C)CC(Nc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)c1ccc(C(=O)O)cc1

HCID67485985

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCNC(=O)c1ccc(C(CC(C)C)Nc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1

HCID68578347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-903d3500623a48aaadc6013c49895ffa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([NH:17][CH:18]([CH2:19][CH:20]([CH3:21])[CH3:22])[c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]3)[cH:15][cH:16]2)[cH:9][cH:10]1.[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH2:57]([Cl:58])[Cl:59].[CH3:39][O:40][C:41]([CH2:42][CH2:43][NH2:44])=[O:45].[CH3:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH2:52][CH2:53][N:54]([CH3:55])[CH3:56].[CH3:60][N:61]([c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1)[CH3:68]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([NH:17][CH:18]([CH2:19][CH:20]([CH3:21])[CH3:22])[c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[NH:44][CH2:43][CH2:42][C:41]([O:40][CH3:39])=[O:45])[cH:30][cH:31]3)[cH:15][cH:16]2)[cH:9][cH:10]1