HRID1116524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11194684

未命名化合物

HCID18002458

未命名化合物

PRODUCTS

生成物

结构：CCCN1CCC(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1

HCID10136279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a94c39878a4c416cbb16cf25dc0c564b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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