HRID1553419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID53167

1-Methylpiperazine

C5H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CN(c1cccc2cc(C3=NCC(CC(=O)O)S3)[nH]c12)S(=O)(=O)c1cccs1

HCID59135943

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)CC2CN=C(c3cc4cccc(N(C)S(=O)(=O)c5cccs5)c4[nH]3)S2)CC1

HCID59135687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e3e649014a84cc491e359171d24091c
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

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