Acetone → HCID 178518242, compound
Reaction equation
[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:61][S:62](=[O:63])(=[O:64])[Cl:65].[CH3:71][N:72]([c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1)[CH3:79].[CH3:80][C:81](=[O:82])[CH3:83].[Cl:68][CH2:69][Cl:70].[F:1][c:2]1[c:3]([F:53])[cH:4][c:5]2[c: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:47])[c:17]([F:46])[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:48](=[O:52])[NH:49][C:50]2=[O:51].[I-:66].[Na+:67]>>[F:1][c:2]1[c:3]([F:53])[cH:4][c:5]2[c: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:47])[c:17]([F:46])[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]([CH:44]([OH:45])[I:66])[O:43]4)[c:21]13)[C:48](=[O:52])[NH:49][C:50]2=[O:51]Participants
9
Sources & evidence
- ORD record
- ord-6e3ceaf3eb2246cba32540d7a835a5ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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