Acetone → HCID 178518241, compound
Reaction equation
[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:59][S:60](=[O:61])(=[O:62])[Cl:63].[CH3:69][C:70](=[O:71])[CH3:72].[Cl:66][CH2:67][Cl:68].[F:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[nH:8][c:9]1[c:10]2[c:11]2[c:12]([c:13]3[c:14]4[cH:15][c:16]([F:46])[cH:17][cH:18][c:19]4[n:20]([CH:22]4[CH:23]([O:24][CH2:25][c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[CH:32]([O:33][CH2:34][c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[CH2:41][CH:42]([CH2:44][OH:45])[O:43]4)[c:21]13)[C:47](=[O:51])[NH:48][C:49]2=[O:50].[I-:64].[Na+:65]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[nH:8][c:9]1[c:10]2[c:11]2[c:12]([c:13]3[c:14]4[cH:15][c:16]([F:46])[cH:17][cH:18][c:19]4[n:20]([CH:22]4[CH:23]([O:24][CH2:25][c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[CH:32]([O:33][CH2:34][c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[CH2:41][CH:42]([CH2:44][I:64])[O:43]4)[c:21]13)[C:47](=[O:51])[NH:48][C:49]2=[O:50]Participants
8
Sources & evidence
- ORD record
- ord-a3c58c7e709a4877822bb22ef040911d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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