HRID1118277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID23994

Zinc

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：CCOC(=O)CC(O)(c1ccc2cc(C(=O)NC)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID57465806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a51da08fb8024242b7435cd46ad254ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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