HRID124641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID10240948

未命名化合物

HCID67234860

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(CONC(=O)c2c(Cl)c3ccncn3c2Nc2ccc(I)cc2F)O1

HCID178431460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86fb6ce3960249809a943313fd4665ed
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

[CH3:23][C:24]1([CH3:32])[O:25][CH2:26][CH:27]([CH2:29][O:30][NH2:31])[O:28]1.[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:1][c:2]1[c:3]([C:20](=[O:21])[OH:22])[c:4]([NH:11][c:12]2[c:13]([F:19])[cH:14][c:15]([I:18])[cH:16][cH:17]2)[n:5]2[cH:6][n:7][cH:8][cH:9][c:10]12.[ClH:54].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[Cl:1][c:2]1[c:3]([C:20](=[O:22])[NH:31][O:30][CH2:29][CH:27]2[CH2:26][O:25][C:24]([CH3:23])([CH3:32])[O:28]2)[c:4]([NH:11][c:12]2[c:13]([F:19])[cH:14][c:15]([I:18])[cH:16][cH:17]2)[n:5]2[cH:6][n:7][cH:8][cH:9][c:10]12