HRID214231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

结构：COC(=O)COc1ccc(SCc2cccc(OCc3ccc(C(F)(F)F)cc3)c2)c2c1CCCO2

HCID20827100

未命名化合物

PRODUCTS

生成物

结构：O=C(O)COc1ccc(SCc2cccc(OCc3ccc(C(F)(F)F)cc3)c2)c2c1CCCO2

HCID22280110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85b0690b09b44ab9a79a8454b4b0b4d4
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

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