HRID108274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID689105

1-Methylindazole-3-carboxylic acid

C9H8N2O2

结构：COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCN)CC1

HCID54008363

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCNC(=O)c2nn(C)c3ccccc23)CC1

HCID53746300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-909670b0c4df405a88ea0f53a8e76b39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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