HRID662671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID2733314

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

C9H3F6NO

结构：CC(C)(C)OC(=O)N1CCN(c2nc(C#N)c(C#N)nc2OCc2ccncc2)CC1

HCID67387573

未命名化合物

PRODUCTS

生成物

结构：N#Cc1nc(OCc2ccncc2)c(N2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1C#N

HCID86616581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e447fea786994be4b1b0026e4006459e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([C:30]#[N:31])[c:17]([C:28]#[N:29])[n:18][c:19]2[O:20][CH2:21][c:22]2[cH:23][cH:24][n:25][cH:26][cH:27]2)[CH2:12][CH2:13]1)[CH3:7].[CH2:39]([N:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[CH3:45].[Cl:63][CH2:64][Cl:65].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[F:46][C:47]([c:48]1[cH:49][c:50]([N:58]=[C:59]=[O:60])[cH:51][c:52]([C:54]([F:55])([F:56])[F:57])[cH:53]1)([F:61])[F:62]>>[O:5]=[C:6]([N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([C:30]#[N:31])[c:17]([C:28]#[N:29])[n:18][c:19]2[O:20][CH2:21][c:22]2[cH:23][cH:24][n:25][cH:26][cH:27]2)[CH2:12][CH2:13]1)[NH:58][c:50]1[cH:49][c:48]([C:47]([F:46])([F:61])[F:62])[cH:53][c:52]([C:54]([F:55])([F:56])[F:57])[cH:51]1