HRID1223728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3024

Dibromomethane

CH2Br2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCCCCCC(C)(C)c1ccc(C2CC(=O)CC(C)C2C)c(OCc2ccccc2)c1

HCID20496842

未命名化合物

HCID22263086

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(C)(C)c1ccc(C2CC(O)(C(Br)Br)CC(C)C2C)c(OCc2ccccc2)c1

HCID20496904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20b9c0d60b7f40e1a46de7c855cc1a69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][CH2:2][Br:3].[CH2:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[O:11][c:12]1[c:13]([CH:27]2[CH2:28][C:29](=[O:35])[CH2:30][CH:31]([CH3:34])[CH:32]2[CH3:33])[cH:14][cH:15][c:16]([C:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])([CH3:25])[CH3:26])[cH:17]1.[CH:36]1([N-:37][CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[Li+:49].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:50]>>[Br:1][CH:2]([Br:3])[C:29]1([OH:35])[CH2:28][CH:27]([c:13]2[c:12]([O:11][CH2:4][c:5]3[cH:6][cH:7][cH:8][cH:9][cH:10]3)[cH:17][c:16]([C:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])([CH3:25])[CH3:26])[cH:15][cH:14]2)[CH:32]([CH3:33])[CH:31]([CH3:34])[CH2:30]1