HRID318954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID16099239

未命名化合物

HCID57615925

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(-n2ncc3c(NCC(O)(CC(C)(C)c4cc(F)ccc4OC)C(F)(F)F)cccc32)c1

HCID57615966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d90d6fc7f34746738748e7dee5e3045c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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