Acetone → HCID 178442594, compound
Reaction equation
[CH3:48][C:49](=[O:50])[CH3:51].[I-:47].[Na+:46].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][O:17][CH:18]2[CH2:19][C:20]3=[CH:21][CH2:22][CH:23]4[CH:24]5[CH2:25][CH2:26][CH:27]([CH:28]([CH2:29][CH2:30][CH2:31][CH:32]([CH3:33])[CH3:34])[CH3:35])[C:36]5([CH3:44])[CH2:37][CH2:38][CH:39]4[C:40]3([CH3:43])[CH2:41][CH2:42]2)(=[O:8])=[O:9])[cH:10][cH:45]1>>[CH2:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][O:17][CH:18]1[CH2:19][C:20]2=[CH:21][CH2:22][CH:23]3[CH:24]4[CH2:25][CH2:26][CH:27]([CH:28]([CH2:29][CH2:30][CH2:31][CH:32]([CH3:33])[CH3:34])[CH3:35])[C:36]4([CH3:44])[CH2:37][CH2:38][CH:39]3[C:40]2([CH3:43])[CH2:41][CH2:42]1)[I:47]Participants
5
Sources & evidence
- ORD record
- ord-2fbb09eb2e614c1f845758f488923060
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)