HRID301428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID1201417

2-Thiazolamine, 4-(trifluoromethyl)-

C4H3F3N2S

结构：CC(C)CCOc1c(C=Cc2nc3sccn3c2C(=O)O)cccc1OC(F)F

HCID68406282

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCOc1c(C=Cc2nc3sccn3c2C(=O)Nc2nc(C(F)(F)F)cs2)cccc1OC(F)F

HCID75215856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e541ad6cf711485e902b192594e51cca
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

[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH3:52][N:53]([c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1)[CH3:60].[ClH:51].[F:1][CH:2]([O:3][c:4]1[c:5]([O:23][CH2:24][CH2:25][CH:26]([CH3:27])[CH3:28])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[s:15][cH:16][cH:17][n:18]3[c:19]2[C:20](=[O:21])[OH:22])[cH:7][cH:8][cH:9]1)[F:29].[F:30][C:31]([c:32]1[n:33][c:34]([NH2:37])[s:35][cH:36]1)([F:38])[F:39].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70]>>[F:1][CH:2]([O:3][c:4]1[c:5]([O:23][CH2:24][CH2:25][CH:26]([CH3:27])[CH3:28])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[s:15][cH:16][cH:17][n:18]3[c:19]2[C:20](=[O:22])[NH:37][c:34]2[n:33][c:32]([C:31]([F:30])([F:38])[F:39])[cH:36][s:35]2)[cH:7][cH:8][cH:9]1)[F:29]