HRID670442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6386

tert-Butyl alcohol

C4H10O

HCID90133

m-(Dimethylamino)benzyl alcohol

C9H13NO

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nsnc2Cl)CC1

HCID59013796

未命名化合物

HCID178443688

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1cccc(COc2nsnc2N2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1

HCID59013877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93158ae59ba54cc78d9bd54702d7c0da
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

[C:41]([CH2:42][CH2:43][CH2:44][CH2:45][O-:46])([CH3:47])([CH3:48])[CH3:49].[C:51]([OH:52])([CH3:53])([CH3:54])[CH3:55].[CH3:30][N:31]([c:32]1[cH:33][c:34]([CH2:38][OH:39])[cH:35][cH:36][cH:37]1)[CH3:40].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][s:24][n:25][c:26]3[Cl:27])[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:28])[F:29].[K+:50]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][s:24][n:25][c:26]3[O:39][CH2:38][c:34]3[cH:33][c:32]([N:31]([CH3:30])[CH3:40])[cH:37][cH:36][cH:35]3)[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:28])[F:29]