HRID178812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID80320

3-Chloro-2-fluoroprop-1-ene

C3H4ClF

HCID3280088

未命名化合物

4 次

结构：COc1ccc(C(=O)N(C)C2CN(C(=O)C3CCNCC3)CC2c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F

HCID67025720

未命名化合物

HCID178507075

未命名化合物

PRODUCTS

生成物

结构：C=C(F)CN1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)C(N(C)C(=O)c3ccc(OC)c(C(F)(F)F)c3)C2)CC1

HCID75047520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58c7d8c348fc4888920473c77bb7824a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:81]1[O:82][CH2:83][CH2:84][CH2:85]1.[CH3:38][Si:39]([N-:40][Si:41]([CH3:42])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[CH3:49][Si:50]([N-:51][Si:52]([CH3:53])([CH3:54])[CH3:55])([CH3:56])[CH3:57].[CH3:58][Si:59]([N-:60][Si:61]([CH3:62])([CH3:63])[CH3:64])([CH3:65])[CH3:66].[CH3:67][Si:68]([N-:69][Si:70]([CH3:71])([CH3:72])[CH3:73])([CH3:74])[CH3:75].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[Cl:1][c:2]1[cH:3][c:4]([CH:9]2[CH:10]([N:22]([C:23]([c:24]3[cH:25][c:26]([C:32]([F:33])([F:34])[F:35])[c:27]([O:30][CH3:31])[cH:28][cH:29]3)=[O:36])[CH3:37])[CH2:11][N:12]([C:14](=[O:15])[CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[CH2:13]2)[cH:5][cH:6][c:7]1[Cl:8].[Cl:76][CH2:77][C:78](=[CH2:79])[F:80].[K+:47].[N+3:48]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]2[CH:10]([N:22]([C:23]([c:24]3[cH:25][c:26]([C:32]([F:33])([F:34])[F:35])[c:27]([O:30][CH3:31])[cH:28][cH:29]3)=[O:36])[CH3:37])[CH2:11][N:12]([C:14](=[O:15])[CH:16]3[CH2:17][CH2:18][N:19]([CH2:79][C:78](=[CH2:77])[F:80])[CH2:20][CH2:21]3)[CH2:13]2)[cH:5][cH:6][c:7]1[Cl:8]