HRID320592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6378

(+/-)-1,2-Propylene oxide

C3H6O

结构：COc1cc(CN2CCNCC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1

HCID66711969

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN2CCN(CC(C)O)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1

HCID66712139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4da5985b87e44edb8974908299a9e2a2
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

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