HRID97972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID19660

Carbonate

CO3-2

结构：FC(F)(F)c1cc(CNCc2cc3ccccc3nc2N2CCN(CC3CCCCC3)CC2)cc(C(F)(F)F)c1

HCID57486818

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCN(CC2CCCCC2)CC1

HCID57486791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b398d3444cc4648ba61c75f8091a407
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[Cl:47][C:48](=[O:49])[O:50][CH2:51][CH3:52].[F:7][C:8]([c:9]1[cH:10][c:11]([CH2:12][NH:13][CH2:14][c:15]2[c:16]([N:25]3[CH2:26][CH2:27][N:28]([CH2:31][CH:32]4[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]4)[CH2:29][CH2:30]3)[n:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[cH:24]2)[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46].[K+:5].[K+:6].[OH2:53]>>[F:7][C:8]([c:9]1[cH:10][c:11]([CH2:12][N:13]([CH2:14][c:15]2[c:16]([N:25]3[CH2:26][CH2:27][N:28]([CH2:31][CH:32]4[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]4)[CH2:29][CH2:30]3)[n:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[cH:24]2)[C:48](=[O:49])[O:50][CH2:51][CH3:52])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46]