HRID1211277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID24279185

未命名化合物

结构：CN(c1ccccc1-c1ccc2cnc(S(C)=O)nn12)S(C)(=O)=O

HCID54577677

未命名化合物

PRODUCTS

生成物

结构：CC(O)CN1CCN(c2ccc(Nc3ncc4ccc(-c5ccccc5N(C)S(C)(=O)=O)n4n3)cc2)CC1

HCID66710931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48a4fb6ca8f8470d9d0b0ad28a60de44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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