HRID698169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID589329

未命名化合物

结构：OC(c1ccc(OC(F)(F)F)cc1)(c1ccc(OC(F)(F)F)cc1)C1CCNCC1

HCID19040926

未命名化合物

PRODUCTS

生成物

结构：Cn1nnc(-c2ccc(CN3CCC(C(O)(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)CC3)cc2)n1

HCID15515185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fc3885e4755454e9cceb2c1ea45f113
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

[CH3:1][n:2]1[n:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([CH2:13][Br:14])[cH:11][cH:12]2)[n:5][n:6]1.[CH3:54][S:55](=[O:56])[CH3:57].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[F:15][C:16]([O:17][c:18]1[cH:19][cH:20][c:21]([C:24]([CH:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)([OH:31])[c:32]2[cH:33][cH:34][c:35]([O:38][C:39]([F:40])([F:41])[F:42])[cH:36][cH:37]2)[cH:22][cH:23]1)([F:43])[F:44]>>[CH3:1][n:2]1[n:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([CH2:13][N:28]3[CH2:27][CH2:26][CH:25]([C:24]([c:21]4[cH:20][cH:19][c:18]([O:17][C:16]([F:15])([F:43])[F:44])[cH:23][cH:22]4)([OH:31])[c:32]4[cH:33][cH:34][c:35]([O:38][C:39]([F:40])([F:41])[F:42])[cH:36][cH:37]4)[CH2:30][CH2:29]3)[cH:11][cH:12]2)[n:5][n:6]1