HRID676443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：Cc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccccc1

HCID11523903

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccccc1

HCID11510046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df097ee4f8ea45f5b6835ef2d63a152a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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