HRID1141545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID2779282

3,5-Difluorophenyl isocyanate

C7H3F2NO

结构：Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1-c1noc(=O)[nH]1

HCID136075215

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(F)cc(F)c1)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1-c1noc(=O)[nH]1

HCID135611167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8f6477353e94d178011664f67869d74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:35][C:36]#[N:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[F:24][c:25]1[cH:26][c:27]([N:32]=[C:33]=[O:34])[cH:28][c:29]([F:31])[cH:30]1.[NH2:1][c:2]1[c:3](-[c:18]2[n:19][o:20][c:21](=[O:23])[nH:22]2)[cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[c:3](-[c:18]2[n:19][o:20][c:21](=[O:23])[nH:22]2)[cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[cH:6][cH:7]1)[C:33]([NH:32][c:27]1[cH:26][c:25]([F:24])[cH:30][c:29]([F:31])[cH:28]1)=[O:34]