HRID2148650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8083

Morpholine

C4H9NO

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(Nc1cccc(Oc2ccc3nc(NC(=O)N4CCOCC4)cn3n2)c1)c1cccc(C(F)(F)F)c1

HCID57505736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6b8c15586424415a507fd698fd34299
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:39]1[CH2:40][O:41][CH2:42][CH2:43][NH:44]1.[CH3:60][S:61](=[O:62])[CH3:63].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[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].[Na+:55].[OH:56][C:57](=[O:58])[O-:59]>>[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:44]3[CH2:39][CH2:40][O:41][CH2:42][CH2:43]3)[n:21]4)[cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36]1)([F:37])[F:38]