HRID120416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15908

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

C8H17N3

HCID853154

3,4,5-Trifluorobenzoic acid

C7H3F3O2

结构：COc1ccc(C2(O)CCC(N3CC(NC(=O)CN)C3)CC2)cn1

HCID59361557

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(F)c(F)c(F)c4)C3)CC2)cn1

HCID46241942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bbf6b8660dc415aae7a7c1639c8c47a
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

[CH3:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47].[F:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][c:33]([F:36])[c:34]1[F:35].[NH2:1][CH2:2][C:3](=[O:4])[NH:5][CH:6]1[CH2:7][N:8]([CH:10]2[CH2:11][CH2:12][C:13]([c:16]3[cH:17][n:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)([OH:24])[CH2:14][CH2:15]2)[CH2:9]1>>[NH:1]([CH2:2][C:3](=[O:4])[NH:5][CH:6]1[CH2:7][N:8]([CH:10]2[CH2:11][CH2:12][C:13]([c:16]3[cH:17][n:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)([OH:24])[CH2:14][CH2:15]2)[CH2:9]1)[C:29]([c:28]1[cH:27][c:26]([F:25])[c:34]([F:35])[c:33]([F:36])[cH:32]1)=[O:30]