HRID2350362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID498716

未命名化合物

结构：Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(Nc1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1)CC3

HCID19066345

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(N(C)c1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1)CC3

HCID19066320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a341214d29a64da1a7c17ae387ba535b
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:48]([BH3-:49])#[N:50].[CH2:1]=[O:2].[CH3:53][C:54](=[O:55])[OH:56].[F:3][c:4]1[c:5]([C:6](=[O:7])[O:8][c:9]2[c:10]([F:19])[c:11]([F:18])[c:12]([F:17])[c:13]([F:16])[c:14]2[F:15])[cH:20][cH:21][c:22]([NH:24][CH:25]2[CH2:26][CH2:27][c:28]3[c:29]2[cH:30][c:31]2[c:32](=[O:47])[n:33]([CH2:39][O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[c:34]([CH3:38])[n:35][c:36]2[cH:37]3)[cH:23]1.[Na+:51].[OH2:52]>>[F:3][c:4]1[c:5]([C:6](=[O:7])[O:8][c:9]2[c:10]([F:19])[c:11]([F:18])[c:12]([F:17])[c:13]([F:16])[c:14]2[F:15])[cH:20][cH:21][c:22]([N:24]([CH:25]2[CH2:26][CH2:27][c:28]3[c:29]2[cH:30][c:31]2[c:32](=[O:47])[n:33]([CH2:39][O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[c:34]([CH3:38])[n:35][c:36]2[cH:37]3)[CH3:48])[cH:23]1