Citric Acid → HCID 18510835, compound
Reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[C:8]([O:9][C:13](=[O:10])[N:15]1[CH2:16][CH2:17][N:18]([c:21]2[cH:22][cH:23][c:24]3[c:28]([c:29]2[Cl:30])[C:27](=[O:31])[N:26]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[CH2:25]3)[CH2:19][CH2:20]1)([CH3:11])([CH3:12])[CH3:14].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[Cl:73][CH2:74][Cl:75].[K+:42].[K+:43].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[OH:60][C:61]([CH2:62][C:63]([C:64](=[O:65])[OH:66])([CH2:67][C:68](=[O:69])[OH:70])[OH:71])=[O:72].[c:44]1([CH:50]([CH2:51][CH2:52][Br:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH2:13]([N:15]1[CH2:16][CH2:17][N:18]([c:21]2[cH:22][cH:23][c:24]3[c:28]([c:29]2[Cl:30])[C:27](=[O:31])[N:26]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[CH2:25]3)[CH2:19][CH2:20]1)[CH2:51][CH:50]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1Participants
9
Sources & evidence
- ORD record
- ord-c7e3c69d30934e71b76418d55ac976b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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