HRID189157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6328

Methyl iodide

CH3I

结构：COc1cc(C(=O)NC2CCCNCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25253221

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25253222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd19a1d03fc6472c9645efbecdda47ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:40][I:41].[NH:1]1[CH2:2][CH2:3][CH:4]([NH:8][C:9]([c:10]2[cH:11][c:12]([O:37][CH3:38])[c:13]([NH:16][c:17]3[n:18][cH:19][c:20]4[c:21]([n:36]3)[N:22]([CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[CH2:23][C:24]([F:29])([F:30])[C:25](=[O:28])[N:26]4[CH3:27])[cH:14][cH:15]2)=[O:39])[CH2:5][CH2:6][CH2:7]1>>[N:1]1([CH3:40])[CH2:2][CH2:3][CH:4]([NH:8][C:9]([c:10]2[cH:11][c:12]([O:37][CH3:38])[c:13]([NH:16][c:17]3[n:18][cH:19][c:20]4[c:21]([n:36]3)[N:22]([CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[CH2:23][C:24]([F:29])([F:30])[C:25](=[O:28])[N:26]4[CH3:27])[cH:14][cH:15]2)=[O:39])[CH2:5][CH2:6][CH2:7]1