Citric Acid → HCID 66990165, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([B:13]([OH:14])[OH:15])[cH:10][cH:11][cH:12]1.[C:22]([CH3:23])(=[O:24])[O:25][c:26]1[c:27]([C:28](=[O:29])[NH:30][c:31]2[c:32]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:40][cH:41][c:42]([Br:44])[cH:43]2)[cH:45][c:46]([N:49]2[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]2)[cH:47][cH:48]1.[CH3:109][CH2:110][O:111][C:112](=[O:113])[CH3:114].[CH3:115][O:116][CH2:117][CH2:118][O:119][CH3:120].[Na+:16].[Na+:17].[O-:18][C:19](=[O:20])[O-:21].[OH2:121].[OH:55][C:56]([CH2:57][C:58]([C:59](=[O:60])[OH:61])([CH2:62][C:63](=[O:64])[OH:65])[OH:66])=[O:67].[Pd:68]([Cl:69])[Cl:70].[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:42]2[cH:41][cH:40][c:32]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[c:31]([NH:30][C:28]([c:27]3[c:26]([O:25][C:22]([CH3:23])=[O:24])[cH:48][cH:47][c:46]([N:49]4[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]4)[cH:45]3)=[O:29])[cH:43]2)[cH:10][cH:11][cH:12]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-6e77c87cf74545788f449434ae9efdd5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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