HRID160686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID117637

Benzoyl chloride, 2-chloro-5-nitro-

C7H3Cl2NO3

结构：Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(-n2cccc2)c1

HCID21901882

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(-n2cccc2)c1)c1cc([N+](=O)[O-])ccc1Cl

HCID10280324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3b0529cd44a45b4ac074df1ebd6d06e
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

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Cl:37][c:38]1[c:39]([C:40](=[O:41])[Cl:42])[cH:43][c:44]([N+:47](=[O:48])[O-:49])[cH:45][cH:46]1.[Cl:6][c:7]1[c:8]([O:17][c:18]2[c:19](-[n:25]3[cH:26][cH:27][cH:28][cH:29]3)[cH:20][c:21]([NH2:22])[cH:23][cH:24]2)[n:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]1.[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:50]>>[Cl:6][c:7]1[c:8]([O:17][c:18]2[c:19](-[n:25]3[cH:26][cH:27][cH:28][cH:29]3)[cH:20][c:21]([NH:22][C:40]([c:39]3[c:38]([Cl:37])[cH:46][cH:45][c:44]([N+:47](=[O:48])[O-:49])[cH:43]3)=[O:41])[cH:23][cH:24]2)[n:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]1