HRID311544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

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)NCC(F)(F)F)cccc1OC(F)F

HCID67381885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-627ced84b44348268e2f4f4283fce1b1
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

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