HRID178435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID4327891

Pentafluorophenyl trifluoroacetate

C8F8O2

结构：O=C(O)C(c1c2c(nn1-c1ccc(Cl)cc1)CCC2)C1CCCCC1

HCID67387271

未命名化合物

PRODUCTS

生成物

结构：O=C(Oc1c(F)c(F)c(F)c(F)c1F)C(c1c2c(nn1-c1ccc(Cl)cc1)CCC2)C1CCCCC1

HCID86657983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-838facde12e74fe39cd6561a8c646c26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:51]([O:52][CH3:53])([CH3:54])([CH3:55])[CH3:56].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:11]([c:12]2[CH:13]([C:14](=[O:15])[OH:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:23][CH2:24][CH2:25]3)[cH:6][cH:7]1.[F:32][C:33]([F:34])([F:35])[C:36]([O:48][c:37]1[c:38]([F:47])[c:39]([F:46])[c:40]([F:45])[c:41]([F:44])[c:42]1[F:43])=[O:49].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:50].[cH:26]1[cH:27][cH:28][n:29][cH:30][cH:31]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:11]([c:12]2[CH:13]([C:14]([O:15][c:37]2[c:38]([F:47])[c:39]([F:46])[c:40]([F:45])[c:41]([F:44])[c:42]2[F:43])=[O:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:23][CH2:24][CH2:25]3)[cH:6][cH:7]1