HRID694395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID3084912

Carbonic acid, ethyl 4-formylphenyl ester

C10H10O4

结构：CC(c1ccc2c(c1)SC(C)(C)S2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID19935457

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Oc1ccc(C=C(C)c2ccc3c(c2)SC(C)(C)S3)cc1

HCID73668410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28ad630c62b8438b8f9ef5540aa93675
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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