HRID2336789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID11217879

未命名化合物

PRODUCTS

生成物

结构：CC(OC(=O)c1ccccc1)C1(c2ccc(F)cc2F)CO1

HCID178468782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d16c6ccc0ecb4c9d9b2c55af171d5801
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[F:1][c:2]1[c:3]([C:9]2([CH:12]([CH3:13])[OH:14])[O:10][CH2:11]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[O:43]=[C:44]([O:45][CH2:46][CH3:47])[N:48]=[N:49][C:50]([O:51][CH2:52][CH3:53])=[O:54].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:60].[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[c:15]1([P:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[F:1][c:2]1[c:3]([C:9]2([CH:12]([CH3:13])[O:14][C:35](=[O:34])[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[O:10][CH2:11]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1