HRID137259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID18630849

未命名化合物

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N2CCNCC2)CC1Cc1ccccc1

HCID18630855

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(OC(=O)C(c2ccccc2)N2CCN(C3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(Cc4ccccc4)C3)CC2)c1

HCID18630829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07f847ee9a1242f88f34e5b72e5ed019
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Cl:36][CH:37]([C:38](=[O:39])[O:40][c:41]1[cH:42][c:43]([CH3:48])[cH:44][c:45]([CH3:47])[cH:46]1)[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:10][CH:11]([N:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:10][CH:11]([N:14]3[CH2:15][CH2:16][N:17]([CH:37]([C:38](=[O:39])[O:40][c:41]4[cH:42][c:43]([CH3:48])[cH:44][c:45]([CH3:47])[cH:46]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]