HRID88433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID27284

Fe +2 ion

Fe+2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID4574913

未命名化合物

结构：FC(F)(F)c1cc(COc2ccc(Br)cn2)ccc1C1CCCCC1

HCID68813696

未命名化合物

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(OCc3ccc(C4CCCCC4)c(C(F)(F)F)c3)nc2)CC1

HCID68812020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b8821192d364d6aa8b2f98ff48db880
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH2:9][c:10]2[cH:11][c:12]([C:22]([F:23])([F:24])[F:25])[c:13]([CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[n:6][cH:7]1.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Fe+2:88].[N:26]1([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[Na+:44].[cH:52]1[cH:53][cH:54][c:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c-:63]2[cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69]1.[cH:70]1[cH:71][cH:72][c:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c-:81]2[cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87]1>>[c:2]1([N:29]2[CH2:28][CH2:27][N:26]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31][CH2:30]2)[cH:3][cH:4][c:5]([O:8][CH2:9][c:10]2[cH:11][c:12]([C:22]([F:23])([F:24])[F:25])[c:13]([CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[n:6][cH:7]1