HRID200657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID53167

1-Methylpiperazine

C5H12N2

HCID61924

Triisopropylamine

C9H21N

结构：O=C(Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1)OCC(Cl)(Cl)Cl

HCID57505735

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)CC1

HCID57505737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69397e8bdcbc473ab8a85ec625be648e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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