8-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one → 6-[3-[[4-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(6-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]pent-1-ynyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
Reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[O:5][CH:6]([c:7]1[cH:8][cH:9][c:56]([OH:57])[c:58]2[c:59]1[cH:60][cH:61][c:62](=[O:63])[nH:64]2)[CH2:65][NH:66][CH2:10][CH2:11][CH2:12][C:13]#[C:14][c:15]1[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]2[cH:25][c:26]([S:30](=[O:31])(=[O:32])[c:33]3[cH:34][c:35]4[c:36]([NH:47][c:48]5[cH:49][c:50]([O:54][CH3:55])[cH:51][cH:52][cH:53]5)[c:37]([C:44](=[O:45])[NH2:46])[cH:38][n:39][c:40]4[c:41]([CH3:43])[cH:42]3)[cH:27][cH:28][cH:29]2)[cH:19][cH:20]1)([CH3:67])([CH3:68])[CH3:69].[NH2:70][CH2:71][CH:72]([O:73][Si:74]([CH3:75])([CH3:76])[C:77]([CH3:78])([CH3:79])[CH3:80])[c:81]1[cH:82][c:83]([OH:92])[cH:84][c:85]2[c:86]1[O:87][CH2:88][C:89](=[O:91])[NH:90]2>>[CH2:10]([CH2:11][CH2:12][C:13]#[C:14][c:15]1[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]2[cH:25][c:26]([S:30](=[O:31])(=[O:32])[c:33]3[cH:34][c:35]4[c:36]([NH:47][c:48]5[cH:49][c:50]([O:54][CH3:55])[cH:51][cH:52][cH:53]5)[c:37]([C:44](=[O:45])[NH2:46])[cH:38][n:39][c:40]4[c:41]([CH3:43])[cH:42]3)[cH:27][cH:28][cH:29]2)[cH:19][cH:20]1)[NH:70][CH2:71][CH:72]([O:73][Si:74]([CH3:75])([CH3:76])[C:77]([CH3:78])([CH3:79])[CH3:80])[c:81]1[cH:82][c:83]([OH:92])[cH:84][c:85]2[c:86]1[O:87][CH2:88][C:89](=[O:91])[NH:90]2Participants
3
Reactant 2
HCID 669880858-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
HCID 872265066-[3-[[4-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pent-1-ynyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamideProduct 1
Sources & evidence
- ORD record
- ord-11796f580cc54cb8a25ffc793e13f8ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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