HRID168661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID11201

Ethylidene bromide

C2H4Br2

HCID521585

Tri(2-furyl)phosphine

C12H9O3P

HCID522827

3-Chloro-2-fluorobenzyl bromide

C7H5BrClF

结构：CCOC(=O)c1cn(C(COC(=O)OC)C(C)C)c2cc(F)c(I)cc2c1=O

HCID72428187

未命名化合物

HCID178505939

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C(COC(=O)OC)C(C)C)c2cc(F)c(Cc3cccc(Cl)c3F)cc2c1=O

HCID72428178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61f65845426b4cd28ae353433b886b7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br-:20].[Br:1][CH:2]([Br:3])[CH3:4].[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[CH3:5][Si:6]([Cl:7])([CH3:8])[CH3:9].[Cl-:75].[Cl:10][c:11]1[c:12]([F:19])[c:13]([CH2:14][Br:15])[cH:16][cH:17][cH:18]1.[Cl:21][c:22]1[c:23]([F:24])[c:25]([CH2:29][Zn+:30])[cH:26][cH:27][cH:28]1.[F:31][c:32]1[c:33]([I:58])[cH:34][c:35]2[c:36](=[O:57])[c:37]([C:52](=[O:53])[O:54][CH2:55][CH3:56])[cH:38][n:39]([CH:42]([CH2:43][O:44][C:45](=[O:46])[O:47][CH3:48])[CH:49]([CH3:50])[CH3:51])[c:40]2[cH:41]1.[NH4+:76].[o:59]1[cH:60][cH:61][cH:62][c:63]1[P:64]([c:65]1[o:66][cH:67][cH:68][cH:69]1)[c:70]1[o:71][cH:72][cH:73][cH:74]1>>[Cl:10][c:11]1[c:12]([F:19])[c:13]([CH2:14][c:33]2[c:32]([F:31])[cH:41][c:40]3[c:35]([cH:34]2)[c:36](=[O:57])[c:37]([C:52](=[O:53])[O:54][CH2:55][CH3:56])[cH:38][n:39]3[CH:42]([CH2:43][O:44][C:45](=[O:46])[O:47][CH3:48])[CH:49]([CH3:50])[CH3:51])[cH:16][cH:17][cH:18]1