HRID100914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID81430

N-(3-Methoxyphenyl)piperazine

C11H16N2O

结构：COC(=O)CC1c2cccc(F)c2N=C(Cl)N1c1cc(C(F)(F)F)ccc1OC

HCID12002073

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1c2cccc(F)c2N=C(N2CCN(c3cccc(OC)c3)CC2)N1c1cc(C(F)(F)F)ccc1OC

HCID11983691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-089d27f40c864e1fbbe6c49c7554f190
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

[CH2:44]1[CH2:45][CH2:46][C:47]2=[N:52][CH2:51][CH2:50][CH2:49][N:48]2[CH2:53][CH2:54]1.[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[CH3:30][O:31][c:32]1[cH:33][c:34]([N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:35][cH:36][cH:37]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl:1][C:2]1=[N:3][c:4]2[c:5]([F:29])[cH:6][cH:7][cH:8][c:9]2[CH:10]([CH2:24][C:25](=[O:26])[O:27][CH3:28])[N:11]1[c:12]1[c:13]([O:22][CH3:23])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1.[OH2:67]>>[C:2]1([N:41]2[CH2:40][CH2:39][N:38]([c:34]3[cH:33][c:32]([O:31][CH3:30])[cH:37][cH:36][cH:35]3)[CH2:43][CH2:42]2)=[N:3][c:4]2[c:5]([F:29])[cH:6][cH:7][cH:8][c:9]2[CH:10]([CH2:24][C:25](=[O:26])[O:27][CH3:28])[N:11]1[c:12]1[c:13]([O:22][CH3:23])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1