HRID160597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7391

4-tert-Butylcyclohexanol

C10H20O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：CC1(c2ccc3c(C(F)(F)F)c(O)ccc3c2)COC(=O)N1

HCID67413925

未命名化合物

PRODUCTS

生成物

结构：CC1(c2ccc3c(C(F)(F)F)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1

HCID67414066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44da2f12a73b443bb710b94d97f97239
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]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([OH:11])[CH2:9][CH2:10]1.[CH2:72]([Cl:73])[Cl:74].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[O:58]=[C:59]([O:60][CH:61]([CH3:62])[CH3:63])[N:64]=[N:65][C:66]([O:67][CH:68]([CH3:69])[CH3:70])=[O:71].[OH:12][c:13]1[c:14]([C:30]([F:31])([F:32])[F:33])[c:15]2[cH:16][cH:17][c:18]([C:23]3([CH3:29])[NH:24][C:25](=[O:28])[O:26][CH2:27]3)[cH:19][c:20]2[cH:21][cH:22]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([O:11][c:13]2[c:14]([C:30]([F:31])([F:32])[F:33])[c:15]3[cH:16][cH:17][c:18]([C:23]4([CH3:29])[NH:24][C:25](=[O:28])[O:26][CH2:27]4)[cH:19][c:20]3[cH:21][cH:22]2)[CH2:9][CH2:10]1