HRID2350497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID259

Bromide

Br-

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID5975

Cyanide

CN-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID20531218

未命名化合物

PRODUCTS

生成物

HCID20531232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4d0d032b6854bc6bea6c6e8b8a827d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br-:19].[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[C:7]([c:11]1[cH:12][c:13]([CH3:17])[cH:14][cH:15][cH:16]1)=[CH:8][CH2:9][S:10]2.[Br:28][c:29]1[cH:30][c:31]2[c:32]([cH:33][cH:34]1)[O:35][C:36](=[O:37])[CH2:38][S:39]2.[Br:40][c:41]1[cH:42][cH:43][c:44]2[c:57]([cH:58]1)[C:48]([OH:49])([c:50]1[cH:51][cH:52][cH:53][c:54]([CH3:55])[cH:56]1)[CH2:47][CH2:46][S:45]2.[C-:59]#[N:60].[CH2:74]([O:75][CH2:76][CH3:77])[CH3:78].[CH3:20][c:21]1[cH:22][c:23]([Mg+:24])[cH:25][cH:26][cH:27]1.[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[NH3:61]>>[c:2]1([C:59]#[N:60])[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[C:7]([c:11]1[cH:12][c:13]([CH3:17])[cH:14][cH:15][cH:16]1)=[CH:8][CH2:9][S:10]2