Hydrochloric Acid → Hydrochloric Acid

HRID 305731Notes

Reaction equation

HRID 305731 reaction equation
[CH2:50]([OH:51])[CH3:52].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:10][C:11](=[O:12])[CH2:13][C:14](=[O:15])[O:16][c:17]2[cH:18][c:19](-[c:23]3[n:24][c:25]4[s:26][c:27]5[c:28]([n:29]4[cH:30]3)[cH:31][cH:32][cH:33][cH:34]5)[cH:20][cH:21][cH:22]2)[cH:8][cH:9]1.[CH3:35][O:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:54][CH2:55][Cl:56].[ClH:53].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[ClH:53].[O:10]=[C:11]([OH:12])[CH2:13][C:14](=[O:15])[O:16][c:17]1[cH:18][c:19](-[c:23]2[n:24][c:25]3[s:26][c:27]4[c:28]([n:29]3[cH:30]2)[cH:31][cH:32][cH:33][cH:34]4)[cH:20][cH:21][cH:22]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 8028TetrahydrofuranHCID 13206728HCID 13206728, compound

Product 2

HCID 313Hydrochloric AcidHCID 1373073-[3-(Imidazo[2,1-b][1,3]benzothiazol-2-yl)phenoxy]-3-oxopropanoic acid

Sources & evidence

ORD record
ord-431eb5cecb484f54ad4cf2d028744642
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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