6-Bromomethyl-3,4-dihydro-4-oxo-3-((pivaloyl)oxy)methylquinazoline → HCID 178457024, compound
Reaction equation
[Br:74][CH2:75][c:76]1[cH:77][c:78]2[c:79]([cH:80][cH:81]1)[n:82][cH:83][n:84]([CH2:85][O:86][C:87](=[O:88])[C:89]([CH3:90])([CH3:91])[CH3:92])[c:93]2=[O:94].[F:1][c:2]1[cH:3][c:4]([NH:5][CH2:6][C:7]#[CH:8])[cH:9][cH:10][c:11]1[C:12]([NH:13][CH:14]([C:15]([O:16][CH2:17][CH3:18])=[O:19])[CH2:20][CH2:21][C:22]([O:23][CH2:24][CH3:25])=[O:26])=[O:27].[O:28]=[c:29]1[n:30]([CH2:66][O:67][C:68]([C:69]([CH3:70])([CH3:71])[CH3:72])=[O:73])[cH:31][n:32][c:33]2[cH:34][cH:35][c:36]([CH2:39][N:40]([c:41]3[cH:42][cH:43][c:44]([C:45](=[O:46])[NH:47][CH:48]([CH2:49][CH2:50][C:51](=[O:52])[O:53][CH2:54][CH3:55])[C:56](=[O:57])[O:58][CH2:59][CH3:60])[cH:61][cH:62]3)[CH2:63][C:64]#[CH:65])[cH:37][c:38]12>>[F:1][c:61]1[c:44]([C:45](=[O:46])[NH:47][CH:48]([CH2:49][CH2:50][C:51](=[O:52])[O:53][CH2:54][CH3:55])[C:56](=[O:57])[O:58][CH2:59][CH3:60])[cH:43][cH:42][c:41]([N:40]([CH2:39][c:36]2[cH:35][cH:34][c:33]3[n:32][cH:31][n:30]([CH2:66][O:67][C:68]([C:69]([CH3:70])([CH3:71])[CH3:72])=[O:73])[c:29](=[O:28])[c:38]3[cH:37]2)[CH2:63][C:64]#[CH:65])[cH:62]1Participants
4
Sources & evidence
- ORD record
- ord-88d7ea133cb54464b3a3be54c56b0f05
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)