HRID151688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID89599

2-(Bromomethyl)benzonitrile

C8H6BrN

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C(NC1CCCC(c2nc3ccn(Cc4ccccc4)c(=O)c3[nH]2)C1)OCc1ccccc1

HCID178522006

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccccc1Cn1c(C2CCCC(NC(=O)OCc3ccccc3)C2)nc2ccn(Cc3ccccc3)c(=O)c21

HCID58788445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cf3c96611724fb7b1e928b2a40ef51a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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