HRID157840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID5461756

4-Iodo-N-methoxy-N-methyl-benzamide

C9H10INO2

HCID12016672

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1cc(-c2cccc(Cl)c2)c2cc(C(=O)c3ccc(I)cc3)ccc2n1

HCID21082031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e17da976c114ec1ae99a2c95c1f5715
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

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