HRID2312488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID5943

Carbon tetrachloride

CCl4

HCID8028

Tetrahydrofuran

C4H8O

HCID9582

4,4'-Difluorobenzophenone

C13H8F2O

HCID114942

Titanium(4+)

Ti+4

HCID283414

ethyl(1-methyl-1h-tetrazol-5-yl)acetate

C6H10N4O2

PRODUCTS

生成物

结构：CCOC(=O)C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnnn1C

HCID14539522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bcc708cd4964905a446a99e2f771567
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

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