Acetone → HCID 178475205, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH:13]([N:34]5[CH2:35][CH2:36][CH2:37][CH2:38]5)[CH:14]([O:30][C:31]([CH3:32])=[O:33])[C:15]4([CH3:16])[CH2:17][CH2:18][CH:19]3[C:20]2([CH3:29])[CH2:21][CH:22]1[N:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[CH3:39][C:40](=[O:41])[CH3:42].[Cl:43][CH:44]([Cl:45])[Cl:46]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH:13]([N:34]5[CH2:38][CH2:37][CH2:36][CH2:35][CH2:39]5)[CH:14]([O:30][C:31]([CH3:32])=[O:33])[C:15]4([CH3:16])[CH2:17][CH2:18][CH:19]3[C:20]2([CH3:29])[CH2:21][CH:22]1[N:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1Participants
4
Sources & evidence
- ORD record
- ord-858a6d3ce34e4810a1344c70c002ac58
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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