HRID1125480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

反应SMILES：O=C=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID2733314

1-Isocyanato-3,5-bis(trifluoromethyl)benzene

C9H3F6NO

HCID67388084

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccc2COc2ccncc2)CC1

HCID86616582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0f562734edfe4e0ba258290f94a11e86
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

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