Acetone → HCID 178447496, compound
Reaction equation
[Br:81][CH2:82][C:83](=[O:84])[NH2:85].[C:86](=[O:87])([O-:88])[O-:89].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([C:17](=[O:18])[C:19]([CH3:20])([CH3:21])[NH:22][C:23](=[O:24])[CH2:25][CH:26]=[CH:27][c:28]2[cH:29][cH:30][c:31]([C:34]#[C:35][c:36]3[c:37]4[c:38]([O:45][CH:46]5[CH:47]([O:48][C:49]([C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[CH:55]([O:56][C:57]([C:58]([CH3:59])([CH3:60])[CH3:61])=[O:62])[CH:63]([O:64][C:65]([C:66]([CH3:67])([CH3:68])[CH3:69])=[O:70])[CH:71]([CH2:73][O:74][C:75]([C:76]([CH3:77])([CH3:78])[CH3:79])=[O:80])[O:72]5)[n:39][nH:40][c:41]4[cH:42][cH:43][cH:44]3)[cH:32][cH:33]2)[CH2:15][CH2:16]1.[CH3:94][C:95](=[O:96])[CH3:97].[CH3:98][CH2:99][O:100][CH2:101][CH3:102].[Cs+:90].[Cs+:91].[I-:93].[Na+:92]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([C:17](=[O:18])[C:19]([CH3:20])([CH3:21])[NH:22][C:23](=[O:24])[CH2:25][CH:26]=[CH:27][c:28]2[cH:29][cH:30][c:31]([C:34]#[C:35][c:36]3[c:37]4[c:38]([O:45][CH:46]5[CH:47]([O:48][C:49]([C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[CH:55]([O:56][C:57]([C:58]([CH3:59])([CH3:60])[CH3:61])=[O:62])[CH:63]([O:64][C:65]([C:66]([CH3:67])([CH3:68])[CH3:69])=[O:70])[CH:71]([CH2:73][O:74][C:75]([C:76]([CH3:77])([CH3:78])[CH3:79])=[O:80])[O:72]5)[n:39][n:40]([CH2:82][C:83](=[O:84])[NH2:85])[c:41]4[cH:42][cH:43][cH:44]3)[cH:32][cH:33]2)[CH2:15][CH2:16]1Participants
9
Sources & evidence
- ORD record
- ord-9ec0d57e6bf64763929ef41486335237
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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