HRID1133297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

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

PRODUCTS

生成物

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

HCID9830557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3619d6de43584176aa2467adcec5a7e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:56][OH:57].[F:1][C:2]([CH2:3][CH2:4][CH2:5][S:6](=[O:7])(=[O:8])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([C:21]2=[C:22]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:23][CH2:24][CH2:25][c:26]3[c:27]2[cH:28][cH:29][c:30]([O:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][O:38]2)[cH:31]3)[cH:19][cH:20]1)([C:45]([F:46])([F:47])[F:48])[F:49].[OH2:58].[OH:50][C:51]([C:52](=[O:53])[OH:54])=[O:55]>>[F:1][C:2]([CH2:3][CH2:4][CH2:5][S:6](=[O:7])(=[O:8])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([C:21]2=[C:22]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:23][CH2:24][CH2:25][c:26]3[c:27]2[cH:28][cH:29][c:30]([OH:32])[cH:31]3)[cH:19][cH:20]1)([C:45]([F:46])([F:47])[F:48])[F:49]