HRID309164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID67331

Pyridazine, 3,6-dichloro-

C4H2Cl2N2

HCID81531

Diisopropylethylamine

C8H19N

HCID59759449

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCNc2ccc(Cl)nn2)cs1

HCID59759210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aca37b215e994d08bdde56e352aa4de5
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH2:18])[n:15]1)=[O:19].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[Cl:20][c:21]1[n:22][n:23][c:24]([Cl:27])[cH:25][cH:26]1.[OH2:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH:18][c:24]2[n:23][n:22][c:21]([Cl:20])[cH:26][cH:25]2)[n:15]1)=[O:19]