HRID106362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID13777789

3,3-Difluorocyclobutane-1-carboxylic acid

C5H6F2O2

结构：[CH3][Sn]([CH3])([CH3])[c]1ccc2nc(-c3ccc(C4OCCCO4)cc3F)sc2n1

HCID59174832

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc2nc(-c3ccc(C4OCCCO4)cc3F)sc2n1)C1CC(F)(F)C1

HCID67111742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9e756ccc2ea452dbc0fa31a1d638458
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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