HRID142104

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：CC1OC1(O[Si](C)(C)C(C)(C)C)c1ccccc1-c1ccc2[nH]c(COc3ccc(C(F)(F)F)cc3)nc2c1

HCID178434810

未命名化合物

PRODUCTS

生成物

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

HCID178468783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef68a65c9ede44f09ce6cca374c6e515
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]([Si:2]([CH3:3])([CH3:4])[O:6][C:7]1([c:11]2[c:12](-[c:17]3[cH:18][c:19]4[c:20]([nH:21][c:22]([CH2:24][O:25][c:26]5[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]5)[n:23]4)[cH:36][cH:37]3)[cH:13][cH:14][cH:15][cH:16]2)[O:8][CH:9]1[CH3:10])([CH3:5])([CH3:38])[CH3:39].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[OH2:40].[c:41]1([CH3:42])[c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49][cH:50][cH:51]1>>[O:6]=[C:7]([CH:9]([OH:8])[CH3:10])[c:11]1[c:12](-[c:17]2[cH:18][c:19]3[c:20]([nH:21][c:22]([CH2:24][O:25][c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[n:23]3)[cH:36][cH:37]2)[cH:13][cH:14][cH:15][cH:16]1