HRID2132047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)nc(Cl)c1C(=O)c1ccccc1

HCID58290891

未命名化合物

HCID58290911

未命名化合物

PRODUCTS

生成物

结构：COCCN1CCC(c2cc(OC(C)C)c(Nc3nc(Cl)c(C(=O)c4ccccc4)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1

HCID58290875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c919cd0b3cc42a59563d674ae292070
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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