查数据/反应详情

HRID201611

反应详情

EQUATION

反应方程式

HRID 201611 的结构方程式

REACTANTS

反应物

2

结构：Cc1c(C)c2c(c(C)c1O)C(c1ccc(C(C)C)cc1)C(C)(C)O2

未命名化合物

结构：CSc1ccc(CBr)cc1

4-(Methylthio)benzyl bromide

C8H9BrS

PRODUCTS

生成物

1

结构：CSc1ccc(COc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51ebc7d7c5d44d2c9dbe86e359ad0aff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:25][S:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][Br:34])[cH:31][cH:32]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([OH:21])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([O:21][CH2:33][c:30]2[cH:29][cH:28][c:27]([S:26][CH3:25])[cH:32][cH:31]2)[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1

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