HRID139544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID12176

Glycine ethyl ester

C4H9NO2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1ccc(C#N)cc1S(=O)(=O)NCCc1ccc(C(C)C)cc1OCC(=O)O

HCID18456942

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)COc1cc(C(C)C)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OC

HCID18456978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5027d05b17e4cfaba93408a0ef5cf75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:29][CH3:30])[c:7]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][c:15]2[c:16]([O:17][CH2:18][C:19](=[O:20])[OH:21])[cH:22][c:23]([CH:26]([CH3:27])[CH3:28])[cH:24][cH:25]2)[cH:8]1.[CH2:32]([CH3:33])[O:34][C:35]([CH2:36][NH2:37])=[O:38].[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[ClH:31].[ClH:50].[OH2:39].[OH2:67].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:29][CH3:30])[c:7]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][c:15]2[c:16]([O:17][CH2:18][C:19](=[O:20])[NH:37][CH2:36][C:35]([O:34][CH2:32][CH3:33])=[O:38])[cH:22][c:23]([CH:26]([CH3:27])[CH3:28])[cH:24][cH:25]2)[cH:8]1