HRID184029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10909877

3-(2-aminoethoxy)benzonitrile

C9H10N2O

HCID68830990

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccc(OCCNC(=O)c2ccc(Nc3ccncc3)cc2)c1

HCID68832693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5052799b29f4b648d8a0ef3059f733b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BrH:48].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[ClH:26].[ClH:61].[NH2:49][CH2:50][CH2:51][O:52][c:53]1[cH:54][c:55]([C:56]#[N:57])[cH:58][cH:59][cH:60]1.[OH2:62].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[n:1]1[cH:2][cH:3][c:4]([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12]([O:14][CH2:13][CH3:15])=[O:16])[cH:17][cH:18]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:14])[NH:49][CH2:50][CH2:51][O:52][c:53]3[cH:54][c:55]([C:56]#[N:57])[cH:58][cH:59][cH:60]3)[cH:17][cH:18]2)[cH:5][cH:6]1