HRID124370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID3770554

未命名化合物

HCID22250222

未命名化合物

HCID72334544

[5-[(2-Ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

C22H26FN3O5

PRODUCTS

产物

HCID178443678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-660050164ad04161ac0b800bcedafb64
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

[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[NH:21][CH:22]([C:23](=[O:24])[OH:25])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH2:32].[C:33]([Cl:34])(=[O:35])[C:36]([CH3:37])([CH3:38])[CH3:39].[CH2:40]([CH3:41])[O:42][C:43](=[O:44])[C:45]1([NH:50][C:51](=[O:52])[CH:53]2[CH2:54][CH:55]([O:58][C:59](=[O:60])[N:61]3[CH2:62][c:63]4[cH:64][cH:65][cH:66][c:67]([F:70])[c:68]4[CH2:69]3)[CH2:56][NH:57]2)[CH:46]([CH:48]=[CH2:49])[CH2:47]1.[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH:1]1([NH2+:2][CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[ClH:71].[OH2:77]>>[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[NH:21][CH:22]([C:23](=[O:25])[N:57]1[CH:53]([C:51]([NH:50][C:45]2([C:43]([O:42][CH2:40][CH3:41])=[O:44])[CH:46]([CH:48]=[CH2:49])[CH2:47]2)=[O:52])[CH2:54][CH:55]([O:58][C:59](=[O:60])[N:61]2[CH2:62][c:63]3[cH:64][cH:65][cH:66][c:67]([F:70])[c:68]3[CH2:69]2)[CH2:56]1)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH2:32]