HRID93272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2733314

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

C9H3F6NO

HCID59013927

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ncccc2OCc2ccncc2)CC1

HCID10436864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c783a1b3b304385bbe25db593828d06
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

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