HRID1204037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID59134451

未命名化合物

结构：Cc1ccc(-n2nc(C(C)(CF)CF)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

HCID68538054

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(CF)CF)cc2NC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc1

HCID68537059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e510e5644b394f94ae43c2186eabbab3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42](=[O:43])[N:44]1[CH2:45][CH2:46][N:47]([c:50]2[n:51][c:52]([CH3:57])[c:53]([NH2:56])[cH:54][cH:55]2)[CH2:48][CH2:49]1.[CH3:59][S:60]([CH3:61])=[O:62].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:1][C:2]([Cl:3])([Cl:25])[CH2:26][O:4][C:5]([NH:6][c:7]1[n:8](-[c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[n:9][c:10]([C:12]([CH2:13][F:14])([CH3:15])[CH2:16][F:17])[cH:11]1)=[O:27].[OH2:58]>>[O:4]=[C:5]([NH:6][c:7]1[n:8](-[c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[n:9][c:10]([C:12]([CH2:13][F:14])([CH3:15])[CH2:16][F:17])[cH:11]1)[NH:56][c:53]1[c:52]([CH3:57])[n:51][c:50]([N:47]2[CH2:46][CH2:45][N:44]([C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43])[CH2:49][CH2:48]2)[cH:55][cH:54]1