HRID116948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID57615957

未命名化合物

HCID57775518

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CC(O)(CNc1cccc2c1cnn2-c1ccncc1)C(F)(F)F)c1cccc2c1OCC2

HCID57615953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1206606253064e96a83567474d4d3135
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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