Citric Acid → HCID 67133142, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4]([CH2:8][c:9]2[cH:10][c:11](-[c:15]3[c:16]([S:24](=[O:25])(=[O:26])[NH:27][C:28]([CH3:29])([CH3:30])[CH3:31])[s:17][c:18]([CH2:20][CH:21]([CH3:22])[CH3:23])[cH:19]3)[cH:12][cH:13][cH:14]2)[cH:5][cH:6][n:7]1.[Cl:43][C:44](=[O:45])[O:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cl:64][CH2:65][Cl:66].[N:32]1([c:33]2[cH:34][cH:35][cH:36][cH:37][n:38]2)[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH:51][C:52]([CH2:53][C:54]([C:55](=[O:56])[OH:57])([CH2:58][C:59](=[O:60])[OH:61])[OH:62])=[O:63]>>[CH2:1]([CH3:2])[c:3]1[n:4]([CH2:8][c:9]2[cH:10][c:11](-[c:15]3[c:16]([S:24](=[O:25])(=[O:26])[NH:27][C:44](=[O:45])[O:46][CH2:47][CH2:48][CH2:49][CH3:50])[s:17][c:18]([CH2:20][CH:21]([CH3:22])[CH3:23])[cH:19]3)[cH:12][cH:13][cH:14]2)[cH:5][cH:6][n:7]1Participants
6
Sources & evidence
- ORD record
- ord-226c94d096a44588832ea15dcc2da10f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…