HRID298599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID2779765

4-(Trifluoromethyl)cyclohexan-1-ol

C7H11F3O

结构：CC(C)(C)OC(=O)NC1(c2ccc3c(C(F)(F)F)c(O)ccc3c2)COC(C)(C)OC1

HCID67412806

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc3c(C(F)(F)F)c(OC4CCC(C(F)(F)F)CC4)ccc3c2)COC(C)(C)OC1

HCID86642890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbb5751035a94c108f954254cffd00af
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:16]2[cH:17][c:18]3[cH:19][cH:20][c:21]([OH:30])[c:22]([C:26]([F:27])([F:28])[F:29])[c:23]3[cH:24][cH:25]2)[CH2:9][O:10][C:11]([CH3:14])([CH3:15])[O:12][CH2:13]1)=[O:31].[CH2:83]([Cl:84])[Cl:85].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[F:32][C:33]([CH:34]1[CH2:35][CH2:36][CH:37]([OH:40])[CH2:38][CH2:39]1)([F:41])[F:42].[O:69]=[C:70]([O:71][CH:72]([CH3:73])[CH3:74])[N:75]=[N:76][C:77]([O:78][CH:79]([CH3:80])[CH3:81])=[O:82].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:16]2[cH:17][c:18]3[cH:19][cH:20][c:21]([O:30][CH:37]4[CH2:36][CH2:35][CH:34]([C:33]([F:32])([F:41])[F:42])[CH2:39][CH2:38]4)[c:22]([C:26]([F:27])([F:28])[F:29])[c:23]3[cH:24][cH:25]2)[CH2:9][O:10][C:11]([CH3:14])([CH3:15])[O:12][CH2:13]1)=[O:31]