HRID691970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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)cc3c2cnn3-c2ccccc2)nc1

HCID59627769

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3-c2ccccc2)nc1

HCID49847671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b2a4f634c2348369ab0167c1ca1f8d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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