HRID186197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1514258

tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate

C12H24N2O2

结构：Cc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCO3)cc1

HCID10564699

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc3c(c2)C=C(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)CCO3)cc1

HCID22989973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c08e3c1623334ea88b58bfbd0577d8fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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