HRID1233847

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(c2nsnc2Cl)CC1

HCID59013796

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(c2nsnc2OCc2ccnc(Cl)c2)CC1

HCID59013889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7bb98fb176c4c009fc098f5e85cfcbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[CH3:36][C:37]([OH:38])([CH3:39])[CH3:40].[CH3:50][OH:51].[Cl:41][c:42]1[n:43][cH:44][cH:45][c:46]([CH2:48][OH:49])[cH:47]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][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+:35]>>[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:49][CH2:48][c:46]3[cH:45][cH:44][n:43][c:42]([Cl:41])[cH:47]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]