HRID683221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID61779838

未命名化合物

HCID68576698

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnn1)N1CCN(c2nc(-c3ccc(F)cc3F)cs2)CC1

HCID68779623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8c1063eacfb48d6b5da2fbe8af71d0c
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

[CH3:45][S:46](=[O:47])[CH3:48].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[F:16][c:17]1[c:18](-[c:24]2[n:25][c:26]([N:29]3[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]3)[s:27][cH:28]2)[cH:19][cH:20][c:21]([F:23])[cH:22]1.[OH2:44].[n:1]1[n:2][c:3]([NH:7][C:8]([O:9][CH2:10][C:11]([Cl:12])([Cl:13])[Cl:14])=[O:15])[cH:4][cH:5][cH:6]1>>[n:1]1[n:2][c:3]([NH:7][C:8](=[O:15])[N:32]2[CH2:31][CH2:30][N:29]([c:26]3[n:25][c:24](-[c:18]4[c:17]([F:16])[cH:22][c:21]([F:23])[cH:20][cH:19]4)[cH:28][s:27]3)[CH2:34][CH2:33]2)[cH:4][cH:5][cH:6]1