HRID2349154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2763186

4-Bromo-2-methylthiazole

C4H4BrNS

结构：CC1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402256

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)C(C)C3)cs1

HCID46701918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f53b5921967144c5893d1943f23bce5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:35][c:36]1[n:37][c:38]([CH3:41])[s:39][cH:40]1.[C:42](=[O:43])([O-:44])[O-:45].[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:34])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18]([B:25]5[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1.[Cl:48][CH2:49][Cl:50].[K+:46].[K+:47].[OH2:57]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:34])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18](-[c:36]5[n:37][c:38]([CH3:41])[s:39][cH:40]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1