HRID93908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Nc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc32)cc1O

HCID178507623

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)Nc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc32)cc1O

HCID178483934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92f11e4557414c839ee184664dbbbb74
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

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