HRID286597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID11605

1,3-Cyclohexadiene

C6H8

HCID138539

Methoxycyclopentane

C6H12O

结构：O=C(CCC(=O)N(C1CC1)C1c2cc(F)ccc2N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCCC21)OC1OC(C(=O)OCc2ccccc2)C(O)C(O)C1O

HCID78032140

未命名化合物

PRODUCTS

生成物

结构：O=C(CCC(=O)N(C1CC1)C1c2cc(F)ccc2N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCCC21)OC1OC(C(=O)O)C(O)C(O)C1O

HCID71140364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73c539f2c64b4e3bbea7f08638811938
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH:1]1([N:4]([C:5]([CH2:6][CH2:7][C:8](=[O:9])[O:10][CH:11]2[CH:12]([OH:29])[CH:13]([OH:28])[CH:14]([OH:27])[CH:15]([C:17](=[O:18])[O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[O:16]2)=[O:30])[CH:31]2[CH:32]3[CH:33]([N:34]([C:42]([c:43]4[cH:44][cH:45][c:46]([O:49][C:50]([F:51])([F:52])[F:53])[cH:47][cH:48]4)=[O:54])[c:35]4[cH:36][cH:37][c:38]([F:41])[cH:39][c:40]42)[CH2:55][CH2:56][CH2:57]3)[CH2:2][CH2:3]1.[CH:58]1=[CH:63][CH:62]=[CH:61][CH2:60][CH2:59]1.[CH:64]([OH:65])([CH3:66])[CH3:67].[CH:68]1([O:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH2:74]1>>[CH:1]1([N:4]([C:5]([CH2:6][CH2:7][C:8](=[O:9])[O:10][CH:11]2[CH:12]([OH:29])[CH:13]([OH:28])[CH:14]([OH:27])[CH:15]([C:17](=[O:18])[OH:19])[O:16]2)=[O:30])[CH:31]2[CH:32]3[CH:33]([N:34]([C:42]([c:43]4[cH:44][cH:45][c:46]([O:49][C:50]([F:51])([F:52])[F:53])[cH:47][cH:48]4)=[O:54])[c:35]4[cH:36][cH:37][c:38]([F:41])[cH:39][c:40]42)[CH2:55][CH2:56][CH2:57]3)[CH2:2][CH2:3]1