Benzoic Acid → HCID 76137387, compound
Reaction equation
[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH3:13])=[O:14])[C:15]4([CH3:23])[CH2:16][CH2:17][CH:18]3[C:19]2([CH3:22])[CH2:20][CH2:21]1.[OH:43][C:44](=[O:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[O:1]([CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH3:13])=[O:14])[C:15]4([CH3:23])[CH2:16][CH2:17][CH:18]3[C:19]2([CH3:22])[CH2:20][CH2:21]1)[C:44](=[O:43])[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1Participants
5
Sources & evidence
- ORD record
- ord-c97aee2d354d47369647865cd18f73b7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…