HRID662599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID59548268

未命名化合物

结构：CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cnc(F)c(B(O)O)c1

HCID68512793

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3C)cnc2F)c2ncn(C3CCCCO3)c2n1

HCID178432511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe9152f96ff44e2e9ac7d53db1b8f5e8
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

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