HRID2136266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID674

Dimethylamine

C2H7N

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)c2cc3cc(CC(=O)O)cnc3[nH]2)cc1

HCID67229455

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)Cc1cnc2[nH]c(C(CC3CCCC3)c3ccc(S(C)(=O)=O)cc3)cc2c1

HCID53251083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b036fb5c767e4579bb718d59cc979468
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:32][NH:33][CH3:34].[CH3:35][N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[CH3:54][N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH3:64].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[c:18]2[cH:19][c:20]3[c:21]([n:22][cH:23][c:24]([CH2:26][C:27](=[O:28])[OH:29])[cH:25]3)[nH:30]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:31].[ClH:53].[OH2:42].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[c:18]2[cH:19][c:20]3[c:21]([n:22][cH:23][c:24]([CH2:26][C:27](=[O:29])[N:33]([CH3:32])[CH3:34])[cH:25]3)[nH:30]2)[CH2:2][CH2:3][CH2:4][CH2:5]1