HRID2131116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6386

tert-Butyl alcohol

C4H10O

HCID2734087

2-Bromo-4-methylpyridine

C6H6BrN

HCID4574913

未命名化合物

HCID14512957

(2-Bromopyridin-4-yl)methanol

C6H6BrNO

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(Br)c2)CC1

HCID59013856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2781775a538b4c689d27fd1c4c31a3aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:16][c:17]1[cH:18][c:19]([CH3:20])[cH:21][cH:22][n:23]1.[Br:7][c:8]1[n:9][cH:10][cH:11][c:12]([CH2:14][OH:15])[cH:13]1.[C:54]([OH:55])([CH3:56])([CH3:57])[CH3:58].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[F:24][C:25]([c:26]1[cH:27][c:28]([NH:36][C:37](=[O:38])[N:39]2[CH2:40][CH2:41][N:42]([c:45]3[n:46][cH:47][cH:48][n:49][c:50]3[Cl:51])[CH2:43][CH2:44]2)[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:52])[F:53].[K+:6]>>[Br:7][c:8]1[n:9][cH:10][cH:11][c:12]([CH2:14][O:15][c:50]2[c:45]([N:42]3[CH2:41][CH2:40][N:39]([C:37]([NH:36][c:28]4[cH:27][c:26]([C:25]([F:24])([F:52])[F:53])[cH:31][c:30]([C:32]([F:33])([F:34])[F:35])[cH:29]4)=[O:38])[CH2:44][CH2:43]3)[n:46][cH:47][cH:48][n:49]2)[cH:13]1