Acetone → HCID 178468013, compound
Reaction equation
[CH2:67]([Cl:68])[Cl:69].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]([CH2:14][CH2:15][CH:16]([C:17]([CH3:18])([CH3:19])[O:20][CH:21]([CH3:22])[O:23][CH2:24][CH3:25])[F:26])[CH:27]2[CH2:28][CH2:29][CH:30]3[CH:31]4[CH2:32][CH:33]=[C:34]5[CH2:35][CH:36]([O:53][CH:54]6[O:55][CH2:56][CH2:57][CH2:58][CH2:59]6)[CH2:37][CH:38]([O:46][CH:47]6[O:48][CH2:49][CH2:50][CH2:51][CH2:52]6)[C:39]5([CH3:40])[CH:41]4[CH2:42][CH2:43][C:44]23[CH3:45])(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:62][C:63](=[O:64])[CH3:65].[I-:61].[Na+:60].[OH2:66]>>[CH2:12]([CH:13]([CH2:14][CH2:15][CH:16]([C:17]([CH3:18])([CH3:19])[O:20][CH:21]([CH3:22])[O:23][CH2:24][CH3:25])[F:26])[CH:27]1[CH2:28][CH2:29][CH:30]2[CH:31]3[CH2:32][CH:33]=[C:34]4[CH2:35][CH:36]([O:53][CH:54]5[O:55][CH2:56][CH2:57][CH2:58][CH2:59]5)[CH2:37][CH:38]([O:46][CH:47]5[O:48][CH2:49][CH2:50][CH2:51][CH2:52]5)[C:39]4([CH3:40])[CH:41]3[CH2:42][CH2:43][C:44]12[CH3:45])[I:61]Participants
7
Sources & evidence
- ORD record
- ord-8bf1d3298515459492eb1f257a314a56
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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