HRID2336105

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

HCID81531

Diisopropylethylamine

C8H19N

HCID3710594

2-amino-1-(pyridin-3-yl)ethanol

C7H10N2O

HCID44630704

5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

C8H5ClN2O2

PRODUCTS

生成物

结构：O=C(NCC(O)c1cccnc1)c1cc2cc(Cl)ncc2[nH]1

HCID59753574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ef77ff970c547648a7f15764e14a077
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

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