HRID134683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID854051

3-(2-Aminoethyl)pyridine

C7H10N2

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C=CC(=O)O)cc1

HCID72479812

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C=CC(=O)NCCc2cccnc2)cc1

HCID86602772

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cce6af7ab5c4fe3af00d3df67fed492
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16](=[O:17])[c:18]2[cH:19][cH:20][c:21]([CH:24]=[CH:25][C:26](=[O:27])[OH:28])[cH:22][cH:23]2)[cH:11][cH:12][cH:13][cH:14]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cl-:45].[NH2:36][CH2:37][CH2:38][c:39]1[cH:40][n:41][cH:42][cH:43][cH:44]1.[NH4+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16](=[O:17])[c:18]2[cH:19][cH:20][c:21]([CH:24]=[CH:25][C:26](=[O:28])[NH:36][CH2:37][CH2:38][c:39]3[cH:40][n:41][cH:42][cH:43][cH:44]3)[cH:22][cH:23]2)[cH:11][cH:12][cH:13][cH:14]1