HRID2126997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID46318447

5-Chloro-3-(3-fluorophenyl)-1,2,4-thiadiazole

C8H4ClFN2S

HCID68778029

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(NC(=O)N2CCN(c3nc(-c4cccc(F)c4)ns3)CC2)c1C

HCID68778503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d36cca7cdc584382a5fa0a98cf90d882
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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