HRID1144633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID61163

4-(2-Hydroxyethyl)morpholine

C6H13NO2

HCID166653

Hydride

H-

结构：O=C(Nc1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]1)c1cn2nc(Cl)ccc2n1

HCID178522475

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]1)c1cn2nc(OCCN3CCOCC3)ccc2n1

HCID178522476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4379b33fcf24940b8ae9b14b114e44a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[F:1][C:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][c:11]3[c:12]([nH:13][c:14]([NH:16][C:17](=[O:18])[c:19]4[n:20][c:21]5[n:22]([n:23][c:24]([Cl:27])[cH:25][cH:26]5)[cH:28]4)[n:15]3)[cH:29][cH:30]2)[cH:6][cH:7][cH:8]1)([F:31])[F:32].[H-:43].[Na+:42].[O:33]1[CH2:34][CH2:35][N:36]([CH2:39][CH2:40][OH:41])[CH2:37][CH2:38]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][c:11]3[c:12]([nH:13][c:14]([NH:16][C:17](=[O:18])[c:19]4[n:20][c:21]5[n:22]([n:23][c:24]([O:41][CH2:40][CH2:39][N:36]6[CH2:35][CH2:34][O:33][CH2:38][CH2:37]6)[cH:25][cH:26]5)[cH:28]4)[n:15]3)[cH:29][cH:30]2)[cH:6][cH:7][cH:8]1)([F:31])[F:32]