HRID942445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID7856

Chloroacetonitrile

C2H2ClN

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID166653

Hydride

H-

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(C)c[nH]c3c2Br)cc1

HCID68499829

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(C)cn(CC#N)c3c2Br)cc1

HCID68501271

benzyl 3-(7-bromo-1-cyanomethyl-3-methyl-1H-indol-6-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

C42H44BrN3O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74bf6ecaf1ed448d8d980723f191ddc5
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:1][c:2]1[c:3]([CH2:12][O:13][CH:14]2[CH2:15][N:16]([C:40](=[O:41])[O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH2:17][CH2:18][CH:19]2[c:20]2[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH2:29][O:30][CH2:31][c:32]3[c:33]([O:38][CH3:39])[cH:34][cH:35][cH:36][cH:37]3)[cH:24][cH:25]2)[cH:4][cH:5][c:6]2[c:7]([CH3:11])[cH:8][nH:9][c:10]12.[CH2:68]([N+:69]([CH2:70][CH2:71][CH2:72][CH3:73])([CH2:74][CH2:75][CH2:76][CH3:77])[CH2:78][CH2:79][CH2:80][CH3:81])[CH2:82][CH2:83][CH3:84].[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][N:63]([CH3:64])[C:65]1=[O:66].[Cl-:56].[Cl:52][CH2:53][C:54]#[N:55].[H-:50].[I-:67].[NH4+:57].[Na+:51]>>[Br:1][c:2]1[c:3]([CH2:12][O:13][CH:14]2[CH2:15][N:16]([C:40](=[O:41])[O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH2:17][CH2:18][CH:19]2[c:20]2[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH2:29][O:30][CH2:31][c:32]3[c:33]([O:38][CH3:39])[cH:34][cH:35][cH:36][cH:37]3)[cH:24][cH:25]2)[cH:4][cH:5][c:6]2[c:7]([CH3:11])[cH:8][n:9]([CH2:53][C:54]#[N:55])[c:10]12