Citric Acid → HCID 178426601, compound

HRID 103542Notes

Reaction equation

HRID 103542 reaction equation
[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:5][c:6]1[cH:7][cH:8][c:9]([NH2:12])[n:10][cH:11]1.[Cl:13][c:14]1[c:15](-[n:20]2[n:21][cH:22][c:23]3[c:24]2[n:25][cH:26][n:27][c:28]3[O:29][CH:30]2[C:31](=[O:35])[O:32][CH2:33][CH2:34]2)[n:16][cH:17][cH:18][cH:19]1.[OH2:56].[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48]>>[CH3:5][c:6]1[cH:7][cH:8][c:9]([NH:12][C:31]([CH:30]([O:29][c:28]2[c:23]3[cH:22][n:21][n:20](-[c:15]4[c:14]([Cl:13])[cH:19][cH:18][cH:17][n:16]4)[c:24]3[n:25][cH:26][n:27]2)[CH2:34][CH2:33][OH:32])=[O:35])[n:10][cH:11]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 153482-Amino-5-methylpyridineHCID 16682925TrimethylaluminumHCID 178519086HCID 178519086, compound

Product 1

HCID 178426601HCID 178426601, compound

Sources & evidence

ORD record
ord-cfd6c8d4c062459a8a29bf9699e57de8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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