HRID180398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2756496

2-(Aminomethyl)-5-methylpyrazine

C6H9N3

结构：Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(C)C)c2)nc1

HCID57770768

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(-n3ncnc3C(C)C)c2)nc1

HCID57770692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bac5c3ac8849450ca2c0746cb34fc724
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

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