HRID1570322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID6386

tert-Butyl alcohol

C4H10O

HCID4574913

未命名化合物

HCID7062237

(2-chloropyridin-4-yl)methanol

C6H6ClNO

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccnc2Cl)CC1

HCID59013946

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccnc2OCc2ccnc(Cl)c2)CC1

HCID59013760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8213c5ecc409448394a7b7ca946daeca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:37][C:38]([OH:39])([CH3:40])[CH3:41].[CH3:51][OH:52].[Cl:42][c:43]1[n:44][cH:45][cH:46][c:47]([CH2:49][OH:50])[cH:48]1.[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][cH:24][cH:25][n:26][c:27]3[Cl:28])[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30].[K+:36]>>[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][cH:24][cH:25][n:26][c:27]3[O:50][CH2:49][c:47]3[cH:46][cH:45][n:44][c:43]([Cl:42])[cH:48]3)[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30]