HRID816609

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID98388

2-(2-Aminoethyl)-1-methylpyrrolidine

C7H16N2

结构：O=C(O)c1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

HCID21108585

未命名化合物

PRODUCTS

生成物

结构：CN1CCCC1CCNC(=O)c1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

HCID21108560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a61996dcabc42d9bb591fe2864cf289
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

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].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[ClH:35].[NH2:26][CH2:27][CH2:28][CH:29]1[N:30]([CH3:34])[CH2:31][CH2:32][CH2:33]1.[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]2)[n:15][n:16]1.[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:25])[NH:26][CH2:27][CH2:28][CH:29]3[N:30]([CH3:34])[CH2:31][CH2:32][CH2:33]3)[cH:21][cH:22]2)[n:15][n:16]1