HRID2311488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：Cc1cc(Cl)c2c(c1)C(OCC(=O)O)(C(F)(F)F)c1ccccc1-2

HCID59492515

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2

HCID59492563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25fea66ecb594fc0bf2f9458a84cdf07
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:56]([OH:57])([CH3:58])([CH3:59])[CH3:60].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:1][c:2]1[cH:3][c:4]([CH3:24])[cH:5][c:6]2[c:14]1-[c:13]1[c:8]([cH:9][cH:10][cH:11][cH:12]1)[C:7]2([O:15][CH2:16][C:17]([OH:18])=[O:19])[C:20]([F:21])([F:22])[F:23].[ClH:49].[OH2:55].[c:32]1([P:33]([N:34]=[N+:35]=[N-:36])([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:43])[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[Cl:1][c:2]1[cH:3][c:4]([CH3:24])[cH:5][c:6]2[c:14]1-[c:13]1[c:8]([cH:9][cH:10][cH:11][cH:12]1)[C:7]2([OH:15])[C:20]([F:21])([F:22])[F:23]