Acetic Acid → methyl 3-[[6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzoate

HRID 94590Notes

Reaction equation

HRID 94590 reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]([CH2:7][CH:8]2[CH2:9][O:10][c:11]3[cH:12][cH:13][c:14]([O:19][CH2:20][c:21]4[s:22][c:23]5[c:24]([n:25]4)[cH:26][c:27]([F:30])[cH:28][cH:29]5)[cH:15][c:16]3[CH:17]2[OH:18])[cH:31][cH:32][cH:33]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[N+:34](=[N-:35])=[CH2:36].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:41]>>[C:1]([O:2][CH3:36])(=[O:3])[c:4]1[cH:5][c:6]([CH2:7][CH:8]2[CH2:9][O:10][c:11]3[cH:12][cH:13][c:14]([O:19][CH2:20][c:21]4[s:22][c:23]5[c:24]([n:25]4)[cH:26][c:27]([F:30])[cH:28][cH:29]5)[cH:15][c:16]3[CH:17]2[OH:18])[cH:31][cH:32][cH:33]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 9550DiazomethaneHCID 19600793HCID 19600793, compound

Product 1

HCID 9956773methyl 3-[[6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzoate

Sources & evidence

ORD record
ord-4caf634efc0c445ab1a217d8313f66d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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