HRID138990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID55251

Xenalipin

C14H9F3O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11185447

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccc(CN2CCN(c3ccc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)cc3)CC2)c1

HCID9807315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba7bf58b31ef42d8933bcf27110aee6c
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

[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][N:10]([c:13]3[cH:14][cH:15][c:16]([NH2:19])[cH:17][cH:18]3)[CH2:11][CH2:12]2)[cH:20][cH:21][cH:22]1.[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[Cl:59][CH2:60][Cl:61].[F:23][C:24]([c:25]1[cH:26][cH:27][c:28](-[c:31]2[c:32]([C:37](=[O:38])[OH:39])[cH:33][cH:34][cH:35][cH:36]2)[cH:29][cH:30]1)([F:40])[F:41].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][N:10]([c:13]3[cH:14][cH:15][c:16]([NH:19][C:37]([c:32]4[c:31](-[c:28]5[cH:27][cH:26][c:25]([C:24]([F:23])([F:40])[F:41])[cH:30][cH:29]5)[cH:36][cH:35][cH:34][cH:33]4)=[O:38])[cH:17][cH:18]3)[CH2:11][CH2:12]2)[cH:20][cH:21][cH:22]1