HRID146280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID68263

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

C7H6N4O

HCID73702

Ethanesulfonamide

C2H7NO2S

HCID81184

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

C9H16N2

结构：O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc(Cl)cc1)n2CC(=O)N1CCOCC1

HCID11317762

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NC(=O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc(Cl)cc1)n2CC(=O)N1CCOCC1

HCID11261694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1387684b3d204e8c9df7c85939d94e75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:34]([n:35]1[cH:36][cH:37][n:38][cH:39]1)([n:40]1[cH:41][cH:42][n:43][cH:44]1)=[O:45].[CH2:46]([CH3:47])[S:48](=[O:49])(=[O:50])[NH2:51].[CH2:52]1[CH2:53][CH2:54][C:55]2=[N:60][CH2:59][CH2:58][CH2:57][N:56]2[CH2:61][CH2:62]1.[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:68][N:69]([c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1)[CH3:76].[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[c:10]3[c:11]([n:12]2[CH2:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:22][c:23]([C:25](=[O:26])[OH:27])[s:24]3)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[c:10]3[c:11]([n:12]2[CH2:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:22][c:23]([C:25](=[O:27])[NH:51][S:48]([CH2:46][CH3:47])(=[O:49])=[O:50])[s:24]3)[cH:6][cH:7]1