HRID688837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：COC(=O)C1C=C(OS(=O)(=O)C(F)(F)F)CN1C(=O)OC(C)(C)C

HCID57362620

未命名化合物

结构：CC1(C)OB(c2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)OC1(C)C

HCID67111935

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1C=C(c2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)CN1C(=O)OC(C)(C)C

HCID67112969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5da059953d28473a80257867ed3e1f9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[F:43][C:44]([F:45])([F:46])[S:47]([O:48][C:49]1=[CH:50][CH:51]([C:61](=[O:62])[O:63][CH3:64])[N:52]([C:54](=[O:55])[O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[CH2:53]1)(=[O:65])=[O:66].[F:9][c:10]1[c:11](-[c:25]2[s:26][c:27]3[n:28][c:29]([C:34]4([c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[CH2:35][CH2:36]4)[cH:30][cH:31][c:32]3[n:33]2)[cH:12][cH:13][c:14]([B:16]2[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]2)[cH:15]1.[K+:6].[K+:7].[K+:8].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[F:9][c:10]1[c:11](-[c:25]2[s:26][c:27]3[n:28][c:29]([C:34]4([c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[CH2:35][CH2:36]4)[cH:30][cH:31][c:32]3[n:33]2)[cH:12][cH:13][c:14]([C:49]2=[CH:50][CH:51]([C:61](=[O:62])[O:63][CH3:64])[N:52]([C:54](=[O:55])[O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[CH2:53]2)[cH:15]1