HRID136638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

结构：COc1ccc2c(c1)CC(I)C(c1ccccc1)C2c1ccc(OC(=O)C(C)(C)C)cc1

HCID25111989

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)C=CC(c1ccccc1)C2c1ccc(OC(=O)C(C)(C)C)cc1

HCID57543494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b94ace61c964bdeba9f3831f656a904
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

[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl-:33].[I:1][CH:2]1[CH2:3][c:4]2[cH:5][c:6]([O:31][CH3:32])[cH:7][cH:8][c:9]2[CH:10]([c:18]2[cH:19][cH:20][c:21]([O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:22][cH:23]2)[CH:11]1[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[NH4+:34]>>[CH:2]1=[CH:3][c:4]2[cH:5][c:6]([O:31][CH3:32])[cH:7][cH:8][c:9]2[CH:10]([c:18]2[cH:19][cH:20][c:21]([O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:22][cH:23]2)[CH:11]1[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1