HRID135359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4159151

2-methanesulfonyl-5-methoxypyrimidine

C6H8N2O3S

结构：COc1cc2c(cc1O)C(Cc1ccc(OC)c(OC)c1)N(CC(=O)NC1CCc3ccccc31)CC2

HCID22742716

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(Oc2cc3c(cc2OC)CCN(CC(=O)NC2CCc4ccccc42)C3Cc2ccc(OC)c(OC)c2)nc1

HCID22742558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cfa35156ae84c0da555819e3e382d86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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