Citric Acid → HCID 86641356, compound
Reaction equation
[BH4-:49].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1=[N:18][S:17][CH2:16][c:15]2[c:11]3[c:10]1[n:24][n:23]([CH2:25][c:26]1[n:27][cH:28][c:29]([CH3:35])[c:30]([O:33][CH3:34])[c:31]1[CH3:32])[n:22][c:12]-3[cH:13][c:14]2[C:19](=[O:20])[OH:21].[CH3:36][N:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:69][OH:70].[Cl:43][C:44]([O:45][CH2:46][CH3:47])=[O:48].[Na+:50].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]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]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1=[N:18][S:17][CH2:16][c:15]2[c:11]3[c:10]1[n:24][n:23]([CH2:25][c:26]1[n:27][cH:28][c:29]([CH3:35])[c:30]([O:33][CH3:34])[c:31]1[CH3:32])[n:22][c:12]-3[cH:13][c:14]2[CH2:19][OH:20]Participants
9
Sources & evidence
- ORD record
- ord-bf3bc429cc794f738cd263e7db66c794
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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