HRID296437

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

HCID854040

1-Methylindole-3-carboxylic acid

C10H9NO2

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

HCID53683637

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCCNC(=O)c2cn(C)c3ccccc23)CC1

HCID54404871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27f5d9cfd444479786a82cb2b9e0fba0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:51]([N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60])[CH3:61].[CH3:28][n:29]1[cH:30][c:31]([C:38](=[O:39])[OH:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12.[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[NH2:1][c:2]1[cH:3][c:4]([O:26][CH3:27])[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][CH2:21][NH2:22])[CH2:14][CH2:15]2)[cH:23][c:24]1[Cl:25].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[NH2:1][c:2]1[cH:3][c:4]([O:26][CH3:27])[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][CH2:21][NH:22][C:38]([c:31]3[cH:30][n:29]([CH3:28])[c:37]4[c:32]3[cH:33][cH:34][cH:35][cH:36]4)=[O:39])[CH2:14][CH2:15]2)[cH:23][c:24]1[Cl:25]