HRID1220703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

结构：O=S(=O)(c1ccc(C(CC2CCOCC2)c2ccc(-c3ccc(C(O)CO)cn3)[nH]2)cc1)C1CC1

HCID25107076

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)OCC(O)c1ccc(-c2ccc(C(CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)[nH]2)nc1

HCID59331218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9a879bad4204701bc1ade1d8d921096
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[NH:43][CH2:44][C:45](=[O:46])[OH:47].[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:70][N:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([CH:32]([CH2:33][OH:34])[OH:35])[cH:30][n:31]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[ClH:48].[OH:60][n:61]1[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([CH:32]([CH2:33][O:34][C:45]([CH2:44][NH:43][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])=[O:46])[OH:35])[cH:30][n:31]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1