HRID214198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID19660

Carbonate

CO3-2

结构：Oc1ccc(C2C(c3ccc(OCCN4CCCCC4)cc3)Oc3cc(O)ccc3C2(O)C(F)(F)F)cc1

HCID15547494

未命名化合物

PRODUCTS

生成物

结构：Oc1ccc(C2=C(C(F)(F)F)c3ccc(O)cc3OC2c2ccc(OCCN3CCCCC3)cc2)cc1

HCID9827735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0e72a8d5735440e9edc9b44de34e35d
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

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