HRID2341689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCCO)cc2)C(OCc2ccc3cccnc3c2)C1

HCID76501456

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCCOS(C)(=O)=O)cc2)C(OCc2ccc3cccnc3c2)C1

HCID178451754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e68b0cdd1e34a279fd69bbbf0271e0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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