HRID152374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID7672

Phenyl isocyanate

C7H5NO

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

结构：FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1

HCID66876162

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1

HCID24968340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3947bb080534a72b0ae17a9c4216da8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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