HRID666317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

结构：CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC1CCCCC1)C(O)C(O)C1CC1

HCID178455603

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCn1cnc(CC(NC(=O)C(Cc2ccccc2)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC2CCCCC2)C(O)C(O)C2CC2)c1

HCID178447573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de2a1a20c0ce466f8a49476362e7917b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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