HRID190314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID7035

Benzene, 1,1'-(chloromethylene)bis-

C13H11Cl

HCID19660

Carbonate

CO3-2

结构：FC(F)(F)c1cccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1

HCID11728694

未命名化合物

HCID19799606

未命名化合物

PRODUCTS

生成物

HCID146291

Dezinamide

C11H11F3N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4c2276e671641b5b8eada22abde76e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:5](=[O:6])([O-:7])[O-:8].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[Cl:1][C:2](=[O:3])[Cl:4].[F:39][C:40]([c:41]1[cH:42][c:43]([O:44][CH:45]2[CH2:46][N:47]([C:49](=[O:50])[Cl:51])[CH2:48]2)[cH:52][cH:53][cH:54]1)([F:55])[F:56].[K+:10].[K+:9].[NH3:71].[c:11]1([CH:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:19]2)[N:18]2[CH2:20][CH:21]([O:22][c:23]3[cH:24][cH:25][cH:26][c:27]([C:28]([F:29])([F:30])[F:31])[cH:32]3)[CH2:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1.[c:57]1([CH:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[Cl:65])[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[NH2:18][C:49]([N:47]1[CH2:46][CH:45]([O:44][c:43]2[cH:42][c:41]([C:40]([F:39])([F:55])[F:56])[cH:54][cH:53][cH:52]2)[CH2:48]1)=[O:50]