HRID115347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID139436

1-(2-(2-Hydroxyethoxy)ethyl)piperazine

C8H18N2O2

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)ccc32)C=C1c1ccnc(F)c1

HCID69401065

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)ccc32)C=C1c1ccnc(N2CCN(CCOCCO)CC2)c1

HCID69409436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-558643d412e14e9fa04baca2822ed9d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:39][S:40]([CH3:41])=[O:42].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]2=[C:12]1[O:13][C:14]([CH3:24])([CH3:25])[C:15]([c:17]2[cH:18][c:19]([F:23])[n:20][cH:21][cH:22]2)=[CH:16]1.[N:26]1([CH2:32][CH2:33][O:34][CH2:35][CH2:36][OH:37])[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[OH2:38]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]2=[C:12]1[O:13][C:14]([CH3:24])([CH3:25])[C:15]([c:17]2[cH:18][c:19]([N:29]3[CH2:28][CH2:27][N:26]([CH2:32][CH2:33][O:34][CH2:35][CH2:36][OH:37])[CH2:31][CH2:30]3)[n:20][cH:21][cH:22]2)=[CH:16]1