HRID2127666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(C2=CN(C(=O)OC(C)(C)C)CCC2)nc(N2CCOCC2)n1

HCID67545039

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(C2CCCN(C(=O)OC(C)(C)C)C2)nc(N2CCOCC2)n1

HCID67545118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a54d623110d47f0b699ce6de10e254a
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

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