Citric Acid → HCID 67343309, compound

HRID 2345104Notes

Reaction equation

HRID 2345104 reaction equation
[CH2:12]([Cl:13])[Cl:14].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[NH2:15][c:16]1[c:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][c:27]([O:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:28]1.[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[Cl:11].[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]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:15][c:16]1[c:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][c:27]([O:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:28]1

Participants

6

Reactant 5

HCID 311Citric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 69703Phenoxyacetyl chlorideHCID 58508592Tert-butyl 2-amino-4-phenoxybenzoate

Product 1

HCID 67343309HCID 67343309, compound

Sources & evidence

ORD record
ord-df5dedb5a9df426a87b5ffbc070c3564
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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