HRID140621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13551

Isopropyl methanesulfonate

C4H10O3S

结构：CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)CC1

HCID68563698

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n3C(C)C)CC1

HCID68568608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d99e56ccbe644599ac15946332b4c3fe
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

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