HRID97561

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

HCID78346

Pyrimidine-5-carboxylic acid

C5H4N2O2

HCID59595954

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(-c2cccnc2)c(-c2ccncc2F)cc1NC(=O)c1cncnc1

HCID59595970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8319412fbdc4c8aade41941c2f1c795
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

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