HRID1238891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31374

Dimethylacetamide

C4H9NO

结构：CC1(C)OB(c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)nc2)OC1(C)C

HCID59232158

未命名化合物

HCID68720575

未命名化合物

PRODUCTS

生成物

结构：O=C(O)COC1(c2ccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)nc3)cc2F)CCC1

HCID25106236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0f126f940b8471a913e5c712b387056
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:30][c:31]1[cH:32][c:33]([F:46])[c:34]([C:37]2([O:41][CH2:42][C:43](=[O:44])[OH:45])[CH2:38][CH2:39][CH2:40]2)[cH:35][cH:36]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)[n:13][cH:14]2)[O:29]1.[CH3:57][CH2:58][OH:59].[CH3:60][N:61]([CH3:62])[C:63](=[O:64])[CH3:65].[ClH:55].[K+:52].[K+:53].[K+:54].[OH2:56].[P:47]([O-:48])([O-:49])([O-:50])=[O:51]>>[c:9]1(-[c:31]2[cH:32][c:33]([F:46])[c:34]([C:37]3([O:41][CH2:42][C:43](=[O:44])[OH:45])[CH2:38][CH2:39][CH2:40]3)[cH:35][cH:36]2)[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[n:13][cH:14]1