HRID680436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID23994

Zinc

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

结构：CNC(=O)c1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID18769037

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc2cc(C(O)(CC(=O)OC(C)(C)C)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID178485277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ef3eb62e1ad4507933fbb64ab5ee504
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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