Hydrochloric Acid → 4-fluoro-N-{4-methoxy-7-[(2-methoxy-ethyl)-methyl-amino]-benzothiazol-2-yl}-benzamide

HRID 1126073Notes

Reaction equation

HRID 1126073 reaction equation
[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:44][O:45][c:46]1[cH:47][cH:48][c:49]([N:56]([CH3:57])[CH2:58][CH2:59][O:60][CH3:61])[c:50]2[c:51]1[n:52][c:53]([NH2:55])[s:54]2.[ClH:62].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:8])[NH:55][c:53]2[n:52][c:51]3[c:46]([O:45][CH3:44])[cH:47][cH:48][c:49]([N:56]([CH3:57])[CH2:58][CH2:59][O:60][CH3:61])[c:50]3[s:54]2)[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 99734-Fluorobenzoic AcidHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 220157444-methoxy-N7-(2-methoxy-ethyl)-N7-methyl-benzothiazole-2,7-diamine

Product 1

HCID 101265534-fluoro-N-{4-methoxy-7-[(2-methoxy-ethyl)-methyl-amino]-benzothiazol-2-yl}-benzamide

Sources & evidence

ORD record
ord-8f1a212af8c34576ade3fc9a52c8d128
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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