HRID810758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID17750202

N-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide

C13H19BN2O3

结构：COc1ccc(CN2C(=O)C(Cc3ccccc3Cl)N=C(Cl)c3cc(Cl)ccc32)cc1

HCID59594393

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)C(Cc3ccccc3Cl)N=C(c3ccc(NC(C)=O)nc3)c3cc(Cl)ccc32)cc1

HCID67283418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-154cd4d708bd4cb4a3e253e732cbb60d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH3:34][C:35]1([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40][B:41]([c:42]2[cH:43][cH:44][c:45]([NH:48][C:49]([CH3:50])=[O:51])[n:46][cH:47]2)[O:52]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl-:32].[Cl:1][C:2]1=[N:8][CH:7]([CH2:9][c:10]2[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]2)[C:6](=[O:17])[N:5]([CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[c:4]2[c:3]1[cH:30][c:29]([Cl:31])[cH:28][cH:27]2.[Li+:33].[OH2:53]>>[C:2]1([c:42]2[cH:43][cH:44][c:45]([NH:48][C:49]([CH3:50])=[O:51])[n:46][cH:47]2)=[N:8][CH:7]([CH2:9][c:10]2[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]2)[C:6](=[O:17])[N:5]([CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[c:4]2[c:3]1[cH:30][c:29]([Cl:31])[cH:28][cH:27]2