HRID164270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1146

Trimethylamine

C3H9N

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O)c1ccc(CCl)cc1

HCID21852100

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：C[N+](C)(C)Cc1ccc(C(=O)Oc2ccc(Cl)cc2Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1

HCID9808418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b89f411a75640aa9ff4eb23e18d1d2a
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

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