HRID675751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID76820

1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)

C16H15ClF2

HCID14837040

4-(Pentafluorophenoxy)piperidine

C11H10F5NO

PRODUCTS

生成物

结构：Fc1ccc(C(CCCN2CCC(Oc3c(F)c(F)c(F)c(F)c3F)CC2)c2ccc(F)cc2)cc1

HCID14837058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64b830d2a3d84084a5eeba2a5ebaa2c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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