HRID959097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID65522

2-Amino-4,6-dichloropyrimidine

C4H3Cl2N3

结构：Cc1cc(C)c(C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1

HCID59224661

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(-c2cc(Cl)nc(N)n2)cc1C(=O)OC(C)(C)C

HCID59224649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3ef7da084c94689938285892432e243
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:10](=[O:11])([OH:12])[O-:13].[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21]([c:22]1[c:23]([CH3:38])[cH:24][c:25]([CH3:37])[c:26]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:27]1)=[O:39].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[NH2:1][c:2]1[n:3][c:4]([Cl:9])[cH:5][c:6]([Cl:8])[n:7]1.[Na+:14].[OH2:15]>>[NH2:1][c:2]1[n:3][c:4](-[c:26]2[c:25]([CH3:37])[cH:24][c:23]([CH3:38])[c:22]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:39])[cH:27]2)[cH:5][c:6]([Cl:8])[n:7]1