HRID2159440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CC(NC(=O)OC(C)(C)C)C2)n1

HCID66698148

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CC(N(C)C(=O)OC(C)(C)C)C2)n1

HCID66698126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ce99215f49440bfaac320ec917f7a3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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