HRID2138710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](C)(C)OC(c1ccc(CN2CCN(C(=O)c3ccc(NC(=O)Nc4ccncn4)c(F)c3)CC2)cc1)(C(F)(F)F)C(F)(F)F

HCID86638563

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccncn1)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1F

HCID44512394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-447be71e702a46e9bffbfc4fa207b6d0
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

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