HRID175986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID2724942

未命名化合物

结构：Nc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(F)(F)F

HCID86611468

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(F)(F)F

HCID86611474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb5eaefcba0c47868922b64c6314117f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH2:33]=[O:34].[Cl:50][CH2:51][CH2:52][Cl:53].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]([F:9])([F:10])[F:11])[cH:12][cH:13][c:14]([C:16]2=[N:17][O:18][C:19]([C:21]([F:22])([F:23])[F:24])([c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[CH2:20]2)[cH:15]1.[Na+:48].[OH2:49]>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]([F:9])([F:10])[F:11])[cH:12][cH:13][c:14]([C:16]2=[N:17][O:18][C:19]([C:21]([F:22])([F:23])[F:24])([c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[CH2:20]2)[cH:15]1)[CH3:35]