HRID309717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID70955

4-Fluorophenyl isocyanate

C7H4FNO

结构：Nc1ccc(Oc2ncnc3[nH]c(-c4ccccc4)cc23)cc1

HCID58931189

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ncnc3[nH]c(-c4ccccc4)cc23)cc1

HCID58931453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8551872783145278bc1406d4e532bb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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