HRID2335158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6775

2,3-Dichloro-5,6-dicyano-p-benzoquinone

C8Cl2N2O2

结构：COc1ccc(COC2CC(C3OC(C)(C)N(C(C)=O)C3Cc3cc(F)cc(F)c3)N(C(=O)OC(C)(C)C)C2)cc1

HCID178491278

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C(Cc2cc(F)cc(F)c2)C(C2CC(O)CN2C(=O)OC(C)(C)C)OC1(C)C

HCID77558581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f08961baa560451ca5c28aa3d8065c5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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