HRID1119275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID652898

Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

C12H15NO2

结构：CC(C)(C)ONC(C(=O)O)C(=C=O)CSCCNC(=O)OCc1ccccc1

HCID178454540

未命名化合物

结构：CCOC(=O)C1Cc2ccccc2CN1C(=O)C(CCSCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

HCID178468494

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1Cc2ccccc2CN1C(=O)C(N)CCSCCNC(=O)OCc1ccccc1

HCID178468495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-317dcadda03447a8aadd8b5f6048c85b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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