HRID294888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6925

2-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)[Si](C)(C)OC1(c2ccccc2-c2ccc3[nH]c(COc4ccc(C(F)(F)F)cc4)nc3c2)CO1

HCID178455005

未命名化合物

PRODUCTS

生成物

结构：O=C(CO)c1ccccc1-c1ccc2[nH]c(COc3ccc(C(F)(F)F)cc3)nc2c1

HCID178521385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a09885c5b8a4b29b8c9c957c3521edb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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