Citric Acid → HCID 13785333, compound
Reaction equation
[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH2:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[CH3:78][CH2:79][O:80][CH2:81][CH3:82].[Cl-:58].[K+:59].[N:1]#[N:2].[OH:16][c:17]1[cH:18][nH:19][c:20](-[c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:21]1.[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57].[OH:9][C:10]([C:11]([F:12])([F:13])[F:14])=[O:15].[S:29](=[O:30])(=[O:31])([c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1)[NH:39][CH:40]([CH3:41])[C:42](=[O:43])[Cl:44].[c:71]1([CH3:72])[cH:73][cH:74][cH:75][cH:76][cH:77]1.[cH:3]1[cH:4][cH:5][n:6][cH:7][cH:8]1>>[O:16]([c:17]1[cH:18][nH:19][c:20](-[c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:21]1)[C:42]([CH:40]([NH:39][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1)[CH3:41])=[O:43]Participants
13
Reactant 12
Product 1
Sources & evidence
- ORD record
- ord-75cb04d9f4cf410598453ca7e9b3e897
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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