HRID88240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID2759412

1-isocyano-4-(trifluoromethyl)benzene

C8H4F3N

结构：Cn1c2c(c(Cc3cccc(N)c3)c1-c1ccnc(N)n1)C(=O)N(C(=O)OC(C)(C)C)CC2

HCID67284533

未命名化合物

PRODUCTS

生成物

结构：Cn1c2c(c(Cc3cccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c3)c1-c1ccnc(N)n1)C(=O)N(C(=O)OC(C)(C)C)CC2

HCID67284502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6224ba916084fdfba53617fccee1092
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

[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[C:21](=[O:45])[c:22]2[c:23]([n:26]([CH3:44])[c:27](-[c:37]3[n:38][c:39]([NH2:43])[n:40][cH:41][cH:42]3)[c:28]2[CH2:29][c:30]2[cH:31][c:32]([NH2:36])[cH:33][cH:34][cH:35]2)[CH2:24][CH2:25]1.[C:46]([CH3:48])([CH3:49])([O:50][CH3:47])[CH3:51].[Cl:52][CH2:53][Cl:54].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([N+:9]#[C-:10])[cH:7][cH:8]1)([F:11])[F:12]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([NH:36][c:32]2[cH:31][c:30]([CH2:29][c:28]3[c:22]4[c:23]([n:26]([CH3:44])[c:27]3-[c:37]3[n:38][c:39]([NH2:43])[n:40][cH:41][cH:42]3)[CH2:24][CH2:25][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[C:21]4=[O:45])[cH:35][cH:34][cH:33]2)=[O:50])[cH:7][cH:8]1)([F:11])[F:12]