HRID105633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID2758352

4,4-difluoropiperidine

C5H9F2N

结构：CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1

HCID68535629

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1

HCID68681919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9904f0152c864f2aaa6a00207f1eaaa7
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:26](=[O:27])[OH:28])[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1.[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[ClH:29].[ClH:38].[F:30][C:31]1([F:37])[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:26](=[O:28])[N:34]4[CH2:33][CH2:32][C:31]([F:30])([F:37])[CH2:36][CH2:35]4)[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1