HRID2322816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID85588

2-Fluorophenyl isocyanate

C7H4FNO

结构：Nc1cccc(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID66913717

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1)Nc1ccccc1F

HCID68813601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1861a6d35a3940089fcefa19aac75f1b
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

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[F:28][c:29]1[c:30]([N:35]=[C:36]=[O:37])[cH:31][cH:32][cH:33][cH:34]1.[c:1]1(-[c:7]2[cH:8][n:9][c:10]3[c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][cH:13][cH:14][c:15]3[c:16]2-[c:17]2[cH:18][c:19]([NH2:23])[cH:20][cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][n:9][c:10]3[c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][cH:13][cH:14][c:15]3[c:16]2-[c:17]2[cH:18][c:19]([NH:23][C:36]([NH:35][c:30]3[c:29]([F:28])[cH:34][cH:33][cH:32][cH:31]3)=[O:37])[cH:20][cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1