HRID1214886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

结构：CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1

HCID57518453

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC1c2c(C(=O)O)nc(C(F)(F)F)n2CCN1C(=O)OC(C)(C)C

HCID57518479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-374a4605f6a3499d806745cea1119bda
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[n:11]([c:14]([C:20]([F:21])([F:22])[F:23])[n:15][c:16]2[C:17](=[O:18])[OH:19])[CH2:12][CH2:13]1.[CH2:32]([Li:33])[CH2:34][CH2:35][CH3:36].[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][N:29]([CH3:30])[CH3:31].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl-:39].[ClH:41].[I:37][CH3:38].[NH4+:40].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH3:24])[c:10]2[n:11]([c:14]([C:20]([F:21])([F:22])[F:23])[n:15][c:16]2[C:17](=[O:18])[OH:19])[CH2:12][CH2:13]1