HRID122485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4778206

未命名化合物

HCID57874490

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCC(Nc2ccccc2Cl)CC1)Nc1ccc(-c2ccccc2)nc1

HCID57874372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36817c57319a4ccbb964180fde7f20c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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:53][c:54]1[c:55]([NH:60][CH:61]2[CH2:62][CH2:63][NH:64][CH2:65][CH2:66]2)[cH:56][cH:57][cH:58][cH:59]1.[ClH:50].[ClH:51].[ClH:52].[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:7]2[cH:8][cH:9][c:10]([NH:13][C:14]([CH2:15][C:16](=[O:17])[OH:18])=[O:19])[cH:11][n:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][cH:9][c:10]([NH:13][C:14]([CH2:15][C:16](=[O:18])[N:64]3[CH2:63][CH2:62][CH:61]([NH:60][c:55]4[c:54]([Cl:53])[cH:59][cH:58][cH:57][cH:56]4)[CH2:66][CH2:65]3)=[O:19])[cH:11][n:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1