HRID1146052

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

HCID12874683

5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole

C5H7ClN2S

HCID68724237

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nsc(N2CCN(C(=O)Nc3noc4ccccc34)CC2)n1

HCID68782168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b16f6a41fea54e17951fbee037ffa94d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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