HRID1207421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID23994

Zinc

HCID121593

Isopropyl bromoacetate

C5H9BrO2

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)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID178485276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d37aa2a05ee044f183c30c8be8fdcbd8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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