HRID124034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID57532225

Methyl 4-[(5-aminopentyl)oxy]benzoate

C13H19NO3

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cc(NC(=O)OCC[Si](C)(C)C)cc2N)c1

HCID145857641

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCCCCCNC(=O)Nc2cc(NC(=O)OCC[Si](C)(C)C)cc(C)c2-c2cccc(S(=O)(=O)c3cc(C(=N)NC(=O)OC(C)(C)C)sc3SC)c2)cc1

HCID145857710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a07d43789cd464083284d1eda439b2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:81]([Cl:82])[Cl:83].[CH3:14][Si:15]([CH2:16][CH2:17][O:18][C:19]([NH:20][c:21]1[cH:22][c:23]([NH2:54])[c:24](-[c:28]2[cH:29][c:30]([S:34](=[O:35])(=[O:36])[c:37]3[c:38]([S:52][CH3:53])[s:39][c:40]([C:42](=[NH:43])[NH:44][C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[cH:41]3)[cH:31][cH:32][cH:33]2)[c:25]([CH3:27])[cH:26]1)=[O:55])([CH3:56])[CH3:57].[CH3:64][O:65][C:66]([c:67]1[cH:68][cH:69][c:70]([O:73][CH2:74][CH2:75][CH2:76][CH2:77][CH2:78][NH2:79])[cH:71][cH:72]1)=[O:80].[CH3:84][CH2:85][O:86][C:87]([CH3:88])=[O:89].[CH3:90][CH2:91][N:92]([CH2:93][CH3:94])[CH2:95][CH3:96].[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([N+:9]([O-:10])=[O:11])[cH:12][cH:13]1.[cH:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1>>[C:2](=[O:3])([NH:54][c:23]1[cH:22][c:21]([NH:20][C:19]([O:18][CH2:17][CH2:16][Si:15]([CH3:14])([CH3:56])[CH3:57])=[O:55])[cH:26][c:25]([CH3:27])[c:24]1-[c:28]1[cH:29][c:30]([S:34](=[O:35])(=[O:36])[c:37]2[c:38]([S:52][CH3:53])[s:39][c:40]([C:42](=[NH:43])[NH:44][C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[cH:41]2)[cH:31][cH:32][cH:33]1)[NH:79][CH2:78][CH2:77][CH2:76][CH2:75][CH2:74][O:73][c:70]1[cH:69][cH:68][c:67]([C:66]([O:65][CH3:64])=[O:80])[cH:72][cH:71]1