HRID154779

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

HCID57874487

未命名化合物

HCID178525878

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(NC2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1C

HCID178425499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e013198924c6416895a65bcea129d0f7
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

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