HRID2316861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81626

4-Amino-5-chloro-2-methoxybenzoic acid

C8H8ClNO3

HCID53908674

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCN(C)Cc2ccccc2)CC1

HCID53888680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74565f7433fc4d50834bda5e00c7c423
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH3:9])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][CH:18]([CH2:21][NH2:22])[CH2:19][CH2:20]1.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH:36]1([N:37]=[C:38]=[N:39][CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[NH2:23][c:24]1[cH:25][c:26]([O:34][CH3:35])[c:27]([C:28](=[O:29])[OH:30])[cH:31][c:32]1[Cl:33].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH3:9])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][CH:18]([CH2:21][NH:22][C:28]([c:27]2[c:26]([O:34][CH3:35])[cH:25][c:24]([NH2:23])[c:32]([Cl:33])[cH:31]2)=[O:29])[CH2:19][CH2:20]1