HRID2334221

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

HCID6484249

未命名化合物

结构：CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)C(C(=O)O)C1

HCID18965177

未命名化合物

PRODUCTS

生成物

结构：CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)C(C(=O)NCCN(C)Cc2ccccc2OC)C1

HCID19004137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28a2132b3b38450f9e80bb11806814c1
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]([CH2:2][CH2:3][CH2:4][CH3:5])[N:6]([C:7](=[O:8])[N:9]1[CH2:10][CH:11]([C:31](=[O:32])[OH:33])[N:12]([C:15]([N:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][c:25]([Cl:29])[cH:26][cH:27][cH:28]2)=[O:30])[CH2:13][CH2:14]1)[CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[CH3:60][O:61][c:62]1[c:63]([CH2:64][N:65]([CH2:66][CH2:67][NH2:68])[CH3:69])[cH:70][cH:71][cH:72][cH:73]1.[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[N:6]([C:7](=[O:8])[N:9]1[CH2:10][CH:11]([C:31](=[O:32])[NH:68][CH2:67][CH2:66][N:65]([CH2:64][c:63]2[c:62]([O:61][CH3:60])[cH:73][cH:72][cH:71][cH:70]2)[CH3:69])[N:12]([C:15]([N:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][c:25]([Cl:29])[cH:26][cH:27][cH:28]2)=[O:30])[CH2:13][CH2:14]1)[CH2:34][CH2:35][CH2:36][CH2:37][CH3:38]