HRID1571779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7525

N-Ethylmorpholine

C6H13NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID6484228

Thiomorpholine 1,1-dioxide

C4H9NO2S

HCID57840903

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc2c(Cl)ncc(C(=O)N3CCS(=O)(=O)CC3)c21

HCID57840998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcf8cdbfc0854424b9503206a5bdb831
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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