HRID831978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID22324540

未命名化合物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(C6C7CCC(C7)N6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C

HCID66620162

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CC(C#N)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(C6C7CCC(C7)N6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C

HCID66620681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1af965aece5645f0a5f408acccf91303
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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