HRID174491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2801557

5-Methoxy[1,3]thiazolo[5,4-b]pyridin-2-amine

C7H7N3OS

结构：CN1CCN(S(=O)(=O)c2ccc(C(CC3CCCC3)C(=O)O)cc2)CC1

HCID44475401

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)sc2n1

HCID11432720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bcce6a29f6642aa96ed6dfe4384bf31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH3:50][O:51][c:52]1[cH:53][cH:54][c:55]2[c:56]([n:57]1)[s:58][c:59]([NH2:61])[n:60]2.[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]3)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:62][CH2:63][Cl:64].[ClH:49].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:37].[OH2:70].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:61][c:59]2[s:58][c:56]3[c:55]([cH:54][cH:53][c:52]([O:51][CH3:50])[n:57]3)[n:60]2)[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]3)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1