HRID186229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID2777907

O-tert-butylhydroxylamine

C4H11NO

结构：COc1ccc(S(=O)(=O)N(Cc2ccncc2)C(C(=O)O)C2CCN(C(=O)OCCc3cccc4ccccc34)CC2)cc1

HCID178492888

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(Cc2ccncc2)C(C(=O)NOC(C)(C)C)C2CCN(C(=O)OCCc3cccc4ccccc34)CC2)cc1

HCID178492886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-604ee7a21b4e45558ef44d694c88de58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:45]([CH3:46])([CH3:47])([CH3:48])[O:49][NH2:50].[CH2:69]([N:70]=[C:71]=[N:72][CH2:73][CH2:74][CH2:75][N:76]([CH3:77])[CH3:78])[CH3:79].[CH2:80]([Cl:81])[Cl:82].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]([CH:13]([C:14](=[O:15])[OH:16])[CH:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][CH2:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]34)[CH2:21][CH2:22]2)[CH2:38][c:39]2[cH:40][cH:41][n:42][cH:43][cH:44]2)[cH:7][cH:8]1.[CH3:51][N:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[ClH:68].[OH:58][n:59]1[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]([CH:13]([C:14](=[O:15])[NH:50][O:49][C:45]([CH3:46])([CH3:47])[CH3:48])[CH:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][CH2:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]34)[CH2:21][CH2:22]2)[CH2:38][c:39]2[cH:40][cH:41][n:42][cH:43][cH:44]2)[cH:7][cH:8]1