HRID1551605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1ccc(F)cc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59215889

未命名化合物

HCID72533149

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)cc1-c1cc(N2CC3COCCN3CC2CO[Si](C)(C)C(C)(C)C)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178426009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55cc36ec82e84b448aa98244eb0a2be4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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