HRID208399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID13578

2-(2-Aminoethoxy)ethanol

C4H11NO2

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：O=C(NCCOCCO)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1

HCID57505740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b05e00828d342748b0296ab6ac57825
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

[CH3:56][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].[NH2:39][CH2:40][CH2:41][O:42][CH2:43][CH2:44][OH:45]>>[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])[NH:39][CH2:40][CH2:41][O:42][CH2:43][CH2:44][OH:45])[n:21]4)[cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36]1)([F:37])[F:38]