HRID702766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID3549191

Propane-2-sulfonamide

C3H9NO2S

结构：COC(=O)C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

HCID57559098

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n2C1

HCID57559094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f141b1a3b7f1483e900a652e05eba572
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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