HRID2144173

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：O=C(O)CNC(=O)c1ccc(-c2ccccc2)cc1

HCID262943

[(biphenyl-4-carbonyl)-amino]-acetic acid

C15H13NO3

HCID57874385

N-(2-Chlorophenyl)-N-methyl-4-piperidinamine

C12H17ClN2

PRODUCTS

产物

反应SMILES：CN(c1ccccc1Cl)C1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1

HCID44235273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-efc493e2d65b4f289f5154c5548cd31a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:52][c:53]1[c:54]([N:59]([CH:60]2[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]2)[CH3:66])[cH:55][cH:56][cH:57][cH:58]1.[ClH:50].[ClH:51].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1.[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:12])[OH:13])[cH:5][cH:6]1>>[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:13])[N:63]2[CH2:62][CH2:61][CH:60]([N:59]([c:54]3[c:53]([Cl:52])[cH:58][cH:57][cH:56][cH:55]3)[CH3:66])[CH2:65][CH2:64]2)[cH:5][cH:6]1