HRID137526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID12136620

未命名化合物

HCID14347466

3-(Pyridin-4-yl)propan-1-amine

C8H12N2

PRODUCTS

生成物

结构：CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccncc1

HCID10158562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-123a9bdc81c64217aa0c9d2a359ffd63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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