HRID2319214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID76258

3-Carboxy-2-chloropyridine

C6H4ClNO2

HCID3354775

1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene

C13H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2cccnc2Cl)cc1

HCID20738635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b3296e6d1984a78a1a699c72465730b
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:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38]([NH:39][CH2:40][c:41]1[cH:42][cH:43][c:44]([CH2:47][NH2:48])[cH:45][cH:46]1)=[O:49].[CH3:22][N:23]([CH3:24])[CH2:25][CH2:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH3:32].[CH3:50][N:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][n:10]1.[ClH:21].[OH:11][n:12]1[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[n:19][n:20]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:48][CH2:47][c:44]2[cH:43][cH:42][c:41]([CH2:40][NH:39][C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:49])[cH:46][cH:45]2)[cH:7][cH:8][cH:9][n:10]1