HRID136445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID122414

2-Butene, 1-bromo-

C4H7Br

HCID3280088

未命名化合物

结构：COc1ccccc1-c1ccc2c(c1)C(C(C)O)=CC(C)(C)N2C(=O)OC(C)(C)C

HCID20760332

未命名化合物

PRODUCTS

生成物

结构：CC=CCOC(C)C1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccccc3OC)cc21

HCID69152660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aea744f580f147e69c0e5d08ecc0ce46
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

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