Citric Acid → HCID 21921391, compound
Reaction equation
[Br:50][c:51]1[n:52][c:53]([NH2:61])[cH:54][c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]12.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:80].[OH:62][C:63]([CH2:64][C:65]([C:66](=[O:67])[OH:68])([CH2:69][C:70](=[O:71])[OH:72])[OH:73])=[O:74].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[c:1]1(-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:2][cH:3][c:4]([CH2:7][C:8](=[O:9])[OH:10])[cH:5][cH:6]1.[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[c:1]1(-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:2][cH:3][c:4]([CH2:7][C:8](=[O:10])[NH:61][c:53]2[n:52][c:51]([Br:50])[c:60]3[c:55]([cH:54]2)[cH:56][cH:57][cH:58][cH:59]3)[cH:5][cH:6]1Participants
9
Sources & evidence
- ORD record
- ord-9a4d6437712540a7a2df66331e029222
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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