HRID139576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70128

1-(Chloromethyl)-4-(methylthio)benzene

C8H9ClS

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCOCCc3ccccc3)cc2)C(O)C1

HCID86604483

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCOCCc3ccccc3)cc2)cc1

HCID54342139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19a4af6f240a45748b077e0257347a35
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

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