HRID287770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID57428804

未命名化合物

HCID60204552

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(=O)NC(=O)N1CCNc1ncc(Cl)c(-c2nnc(Cc3ccccc3)s2)n1

HCID11597749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fad1e01e95e41508b51915eedb759ec
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][n:10][c:11](-[c:13]2[n:14][c:15]([S:20][CH3:21])[n:16][cH:17][c:18]2[Cl:19])[s:12]1.[CH3:47][C:48](=[O:49])[CH3:50].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[CH:43]([OH:44])([CH3:45])[CH3:46].[NH2:22][CH2:23][CH2:24][N:25]1[C:26](=[O:33])[NH:27][C:28](=[O:32])[C:29]1([CH3:30])[CH3:31].[OH2:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][n:10][c:11](-[c:13]2[n:14][c:15]([NH:22][CH2:23][CH2:24][N:25]3[C:26](=[O:33])[NH:27][C:28](=[O:32])[C:29]3([CH3:30])[CH3:31])[n:16][cH:17][c:18]2[Cl:19])[s:12]1