HRID2159389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID74654

p-Bromophenylacetic acid

C8H7BrO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11276288

1-(2-PYRROLIDIN-1-YL-ETHYL)-1H-INDAZOL-6-YLAMINE

C13H18N4

HCID86598848

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(Br)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1

HCID22036573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d303e97932fe41b7baff832b18e95863
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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