HRID2311105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID15908

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

C8H17N3

结构：Cn1nc(NCC(=O)NC2CN(C3CCC(C(=O)O)CC3)C2)c2cc(C(F)(F)F)ccc21

HCID56661559

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(NCC(=O)NC2CN(C3CCC(C(=O)NCCO)CC3)C2)c2cc(C(F)(F)F)ccc21

HCID54754846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36988e3b9c8046708c7c04b167044c2f
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

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