HRID2156295

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)c2cc(Cl)cc(Cl)c2)C(C(=O)O)C1

HCID19004130

未命名化合物

PRODUCTS

生成物

结构：CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cc(Cl)cc(Cl)c2)C(C(=O)NCCN(C)Cc2ccccc2OC)C1

HCID19004127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3285792c9994e9994c102087dd0cc07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60].[CH3:61][O:62][c:63]1[c:64]([CH2:65][N:66]([CH2:67][CH2:68][NH2:69])[CH3:70])[cH:71][cH:72][cH:73][cH:74]1.[Cl:1][c:2]1[cH:3][c:4]([N:9]([C:10](=[O:11])[N:12]2[CH:13]([C:31](=[O:32])[OH:33])[CH2:14][N:15]([C:18]([N:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])=[O:30])[CH2:16][CH2:17]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:5][c:6]([Cl:8])[cH:7]1.[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[Cl:1][c:2]1[cH:3][c:4]([N:9]([C:10](=[O:11])[N:12]2[CH:13]([C:31](=[O:32])[NH:69][CH2:68][CH2:67][N:66]([CH2:65][c:64]3[c:63]([O:62][CH3:61])[cH:74][cH:73][cH:72][cH:71]3)[CH3:70])[CH2:14][N:15]([C:18]([N:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])=[O:30])[CH2:16][CH2:17]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:5][c:6]([Cl:8])[cH:7]1