HRID2320204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5142091

O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine

C5H11NO2

结构：O=C(O)C=Cc1ccc(NC2CCN(Cc3ccccc3)C2)nc1

HCID68960753

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccc(NC2CCN(Cc3ccccc3)C2)nc1)NOC1CCCCO1

HCID91149636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05f8644edddb4182afe34ba09a95f54f
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

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