HRID1549873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID23393

2-(Chloromethyl)pyridine

C6H6ClN

HCID7147073

1-(3-FLUOROBENZYL)-1H-INDAZOL-5-AMINE

C14H12FN3

HCID21952366

1-(2-Pyridinylmethyl)-1H-indazol-5-amine

C13H12N4

HCID22390549

未命名化合物

PRODUCTS

生成物

结构：COCCOCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12

HCID22390521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ccec1ec5b6144bda29a1a6752634f03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:65][C:66]#[N:67].[Cl:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8]([CH2:11][O:12][CH2:13][CH2:14][O:15][CH3:16])[cH:9][cH:10]2.[Cl:68][CH2:69][Cl:70].[F:39][c:40]1[cH:41][c:42]([CH2:46][n:47]2[c:48]3[c:49]([cH:50][c:51]([NH2:52])[cH:53][cH:54]3)[cH:55][n:56]2)[cH:43][cH:44][cH:45]1.[Na+:21].[O-:17][C:18]([OH:19])=[O:20].[c:57]1([CH2:58][Cl:59])[n:60][cH:61][cH:62][cH:63][cH:64]1.[n:22]1[c:23]([CH2:28][n:29]2[n:30][cH:31][c:32]3[cH:33][c:34]([NH2:38])[cH:35][cH:36][c:37]23)[cH:24][cH:25][cH:26][cH:27]1>>[c:2]1([NH:38][c:34]2[cH:33][c:32]3[cH:31][n:30][n:29]([CH2:28][c:23]4[n:22][cH:27][cH:26][cH:25][cH:24]4)[c:37]3[cH:36][cH:35]2)[n:3][cH:4][n:5][n:6]2[c:7]1[c:8]([CH2:11][O:12][CH2:13][CH2:14][O:15][CH3:16])[cH:9][cH:10]2