Water → HCID 135999735, compound
Reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6](-[n:10]2[n:11][c:12]([CH:16]([c:17]3[c:18]([F:39])[c:19]([O:25][CH2:26][CH2:27][O:28][Si:29]([CH:30]([CH3:31])[CH3:32])([CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38])[cH:20][c:21]([O:23][CH3:24])[cH:22]3)[NH:40][c:41]3[cH:42][c:43]([CH2:49][NH:50][C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[c:44]([C:47]#[N:48])[cH:45][cH:46]3)[nH:13][c:14]2=[O:15])[n:7][cH:8][o:9]1.[CH3:64][CH2:65][CH2:66][CH2:67][N+:68]([CH2:69][CH2:70][CH2:71][CH3:72])([CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH2:79][CH3:80].[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[F-:63].[OH2:87]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6](-[n:10]2[n:11][c:12]([CH:16]([c:17]3[c:18]([F:39])[c:19]([O:25][CH2:26][CH2:27][OH:28])[cH:20][c:21]([O:23][CH3:24])[cH:22]3)[NH:40][c:41]3[cH:42][c:43]([CH2:49][NH:50][C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[c:44]([C:47]#[N:48])[cH:45][cH:46]3)[nH:13][c:14]2=[O:15])[n:7][cH:8][o:9]1Participants
7
Sources & evidence
- ORD record
- ord-3631a43506474897bc5bb32d52c902e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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