HRID1541570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID16992

Cycloheptane, bromo-

C7H13Br

HCID3280088

未命名化合物

结构：COC(=O)C(C)(C)C(c1ccccc1)c1ccc2[nH]ncc2c1

HCID59251051

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(cnn2C2CCCCCC2)c1

HCID68702551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6572db18fd8d48eb9a4f1cbd3ee66a76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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