HRID134223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID79129

Cyclohexyl isocyanide

C7H11N

HCID123563

2,6-Difluorobenzylamine

C7H7F2N

结构：CC(C)C1Oc2ccc(Br)cc2C(C(=O)NC2CCCCC2)N(Cc2c(F)cccc2F)C1=O

HCID9958793

未命名化合物

PRODUCTS

生成物

结构：CCC1Oc2ccc(Br)cc2C(C(=O)NC2CCCCC2)N(Cc2c(F)cccc2F)C1=O

HCID69489206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1701128636f5424cae1d87aa0647e0b8
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

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