HRID2320290

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

HCID332255

3,4,5,6-Tetrahydro-2H-cyclopenta(d)(1,3)thiazol-2-imine

C6H8N2S

结构：CC(C)(C)COc1c(C=Cc2nc3sccn3c2C(=O)O)cccc1OC(F)F

HCID68407347

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COc1c(C=Cc2nc3sccn3c2C(=O)Nc2nc3c(s2)CCC3)cccc1OC(F)F

HCID75215767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dabb7e3f65084b52b5ef286d255bc5e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[ClH:50].[F:1][CH:2]([O:3][c:4]1[c:5]([O:23][CH2:24][C:25]([CH3:26])([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].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[s:30]1[c:31]([NH2:38])[n:32][c:33]2[c:34]1[CH2:35][CH2:36][CH2:37]2>>[F:1][CH:2]([O:3][c:4]1[c:5]([O:23][CH2:24][C:25]([CH3:26])([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:38][c:31]2[s:30][c:34]3[c:33]([n:32]2)[CH2:37][CH2:36][CH2:35]3)[cH:7][cH:8][cH:9]1)[F:29]