HRID1134195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID67358613

未命名化合物

结构：CC(C)(C)OC(=O)N1Cc2c(F)c(Cl)nc(Cl)c2C1=O

HCID86654739

2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, 4,6-dichloro-7-fluoro-1,3-dihydro-3-oxo-, 1,1-dimethylethyl ester

C12H11Cl2FN2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1COCCC1Nc1nc(Cl)c2c(c1F)CN(C(=O)OC(C)(C)C)C2=O

HCID123651037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2d42510beb848f88b9547c7b8c81587
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:45][S:46]([CH3:47])=[O:48].[CH3:49][CH:50]([OH:51])[CH3:52].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[n:3][c:4]([Cl:20])[c:5]([F:19])[c:6]2[c:7]1[C:8](=[O:18])[N:9]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:10]2.[NH2:21][CH:22]1[CH:23]([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:24][O:25][CH2:26][CH2:27]1>>[Cl:1][c:2]1[n:3][c:4]([NH:21][CH:22]2[CH:23]([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:24][O:25][CH2:26][CH2:27]2)[c:5]([F:19])[c:6]2[c:7]1[C:8](=[O:18])[N:9]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:10]2