HRID283935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4259649

3-Amino-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

C15H13N3O

HCID178526136

未命名化合物

PRODUCTS

生成物

结构：O=C1Nc2ccccc2C(c2ccccc2)=NC1NC(=S)c1cccc(C(F)(F)F)c1

HCID20063213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0ed573961b84c83b0a2657e0654da9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[F:20][C:21]([c:22]1[cH:23][c:24]([C:25](=[S:26])[OH:27])[cH:28][cH:29][cH:30]1)([F:31])[F:32].[NH2:1][CH:2]1[C:3](=[O:19])[NH:4][c:5]2[c:6]([cH:15][cH:16][cH:17][cH:18]2)[C:7]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)=[N:8]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:33].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[NH:1]([CH:2]1[C:3](=[O:19])[NH:4][c:5]2[c:6]([cH:15][cH:16][cH:17][cH:18]2)[C:7]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)=[N:8]1)[C:25]([c:24]1[cH:23][c:22]([C:21]([F:20])([F:31])[F:32])[cH:30][cH:29][cH:28]1)=[S:26]