HRID674674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID18380074

未命名化合物

结构：Oc1ccc(C2=C(c3ccccc3)CCCc3cc(OC4CCCCO4)ccc32)cc1

HCID21868882

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(CCCCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(OC4CCCCO4)ccc32)cc1)CCCC(F)(F)C(F)(F)F

HCID21868930

2-[[5-[4-[5-(4,4,5,5,5-Pentafluoropentylsulfonyl)pentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl]oxy]oxane

C38H43F5O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b579af9c65aa4ae194fe9a6fed8fb8c9
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

[C:32](=[O:33])([O-:34])[O-:35].[I:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[CH2:47][CH2:48][CH2:49][C:50]([C:51]([F:52])([F:53])[F:54])([F:55])[F:56].[K+:36].[K+:37].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:57].[c:1]1([C:7]2=[C:8]([c:25]3[cH:26][cH:27][c:28]([OH:31])[cH:29][cH:30]3)[c:9]3[c:10]([cH:14][c:15]([O:18][CH:19]4[O:20][CH2:21][CH2:22][CH2:23][CH2:24]4)[cH:16][cH:17]3)[CH2:11][CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2=[C:8]([c:25]3[cH:26][cH:27][c:28]([O:31][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[CH2:47][CH2:48][CH2:49][C:50]([C:51]([F:52])([F:53])[F:54])([F:55])[F:56])[cH:29][cH:30]3)[c:9]3[c:10]([cH:14][c:15]([O:18][CH:19]4[O:20][CH2:21][CH2:22][CH2:23][CH2:24]4)[cH:16][cH:17]3)[CH2:11][CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1