HRID211727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID82693

5-Chloroindole-2-carboxylate

C9H6ClNO2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID13375154

3-Amino-2,3-dihydro-1,5-benzoxazepin-4(5H)-one

C9H10N2O2

PRODUCTS

生成物

结构：O=C(NC1COc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1

HCID10247644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecfdeebbd7864cacb03ee6e4e975c724
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

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