HRID1561455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID7922

Succinic anhydride

C4H4O3

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(Nc1ccc(N2CCNCC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID52937060

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCC(=O)N1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)CC1

HCID57652124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27cd57c4cb7941ab80513f29390164a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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