HRID1543105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID123472

Diethylaminosulfur trifluoride

C4H10F3NS

结构：CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(OC(F)(F)F)cc1)C(=O)CC1(CCC1)O2

HCID58002938

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(OC(F)(F)F)cc1)C(=O)CC1(CCC1)O2

HCID58002974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8eb900ca27f4e0994c5e6811605658b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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