HRID210004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID22477426

1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid

C8H6N2O2

结构：NC1c2cccc(-c3nc4ccncc4[nH]3)c2-n2cccc21

HCID67072806

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1c2cccc(-c3nc4ccncc4[nH]3)c2-n2cccc21)c1ccnc2[nH]ccc12

HCID44548494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-842a5eeffc8e40f7af075e0b64ab3b4e
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

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