HRID86783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID81531

Diisopropylethylamine

C8H19N

HCID105034

Isocyanate

CNO-

HCID2733380

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate

C8H3F4NO

HCID178507154

未命名化合物

PRODUCTS

生成物

结构：NC(=O)N(c1ccc(N2CN=c3sccc3=C2N)cc1)c1cc(C(F)(F)F)ccc1F

HCID178514075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87410845e2c04ea4a650b4683ded4002
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:49]([N:50]([CH2:51][CH3:52])[CH2:53][CH3:54])[CH3:55].[CH3:56][OH:57].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[F:21][c:22]1[c:23]([N:32]=[C:33]=[O:34])[cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]1.[N-:18]=[C:19]=[O:20].[NH2:1][C:2]1=[c:3]2[c:4]([s:15][cH:16][cH:17]2)=[N:5][CH2:6][N:7]1[c:8]1[cH:9][cH:10][c:11]([NH2:14])[cH:12][cH:13]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[NH2:1][C:2]1=[c:3]2[c:4]([s:15][cH:16][cH:17]2)=[N:5][CH2:6][N:7]1[c:8]1[cH:9][cH:10][c:11]([N:14]([C:19]([NH2:18])=[O:20])[c:23]2[c:22]([F:21])[cH:27][cH:26][c:25]([C:28]([F:29])([F:30])[F:31])[cH:24]2)[cH:12][cH:13]1