HRID688477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6328

Methyl iodide

CH3I

结构：CCc1cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)c2nc(-c3ccccc3)nn2C)c(F)cc1O

HCID57803683

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)c2nc(-c3ccccc3)nn2C)c(F)cc1OC

HCID57803990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f78871cebeb4a66b12f16841b51991d
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([NH:19][CH:20]([c:21]3[cH:22][c:23]([CH2:29][CH3:30])[c:24]([OH:28])[cH:25][c:26]3[F:27])[c:31]3[n:32]([CH3:42])[n:33][c:34](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[n:35]3)[cH:16][cH:17][c:18]12)[C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49].[CH3:50][I:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([NH:19][CH:20]([c:21]3[cH:22][c:23]([CH2:29][CH3:30])[c:24]([O:28][CH3:50])[cH:25][c:26]3[F:27])[c:31]3[n:32]([CH3:42])[n:33][c:34](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[n:35]3)[cH:16][cH:17][c:18]12)[C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49]