HRID685066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：COCN(c1cc(C)cnc1C(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942308

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1

HCID57942490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d76d1005eb3c4454b2eef5f27fd73eb8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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