HRID124172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID97988

1-Chloro-3-methoxy-2-propanol

C4H9ClO2

HCID104967

Cesium(1+)

Cs+

2 次

结构：Cc1nc(-c2nc3c(s2)CCOc2cc(C4CNC4)ccc2-3)n(C(C)C)n1

HCID58204104

未命名化合物

PRODUCTS

生成物

结构：COCC(O)CN1CC(c2ccc3c(c2)OCCc2sc(-c4nc(C)nn4C(C)C)nc2-3)C1

HCID58204191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ede3ed0eb9344b1abaa9c1dd2c8d42f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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