HRID954225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

HCID2727520

1-Benzyl-3-methylpiperazine

C12H18N2

反应SMILES：Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID23502784

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(F)ccc1-c1cc(N2CCN(Cc3ccccc3)CC2C)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87304623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-96e48fec8975478e92e0f3bbbaaedf87
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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