HRID1551631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

结构：COC(=O)c1cc(SCc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(SCc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1

HCID12138357

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(CSc2cc(CO)cc(SCc3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1

HCID12138358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70ea7e7323144c4ba14edffd9df4fe8d
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

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