Hydrochloric Acid → HCID 178494051, compound

HRID 674483Notes

Reaction equation

HRID 674483 reaction equation
[B-:25]([F:26])([F:27])([F:28])[F:29].[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]2[c:8]1[n:9][cH:10][n:11]2-[c:12]1[c:13]([C:21]([F:22])([F:23])[F:24])[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]1.[CH3:70][S:71]([CH3:72])=[O:73].[CH3:74][OH:75].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[Cl:56][c:57]1[cH:58][c:59]2[c:60]([nH:61][c:62]([CH:64]([CH3:65])[NH2:66])[n:63]2)[cH:67][cH:68]1.[Cl:69].[Cl:76][CH2:77][Cl:78].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]2[c:8]1[n:9][cH:10][n:11]2-[c:12]1[c:13]([C:21]([F:22])([F:23])[F:24])[cH:14][c:15]([C:16](=[O:18])[NH:66][CH:64]([c:62]2[nH:61][c:60]3[c:59]([cH:58][c:57]([Cl:56])[cH:68][cH:67]3)[n:63]2)[CH3:65])[cH:19][cH:20]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 69312503HCID 69312503, compoundHCID 178463384HCID 178463384, compound

Product 1

HCID 178494051HCID 178494051, compound

Sources & evidence

ORD record
ord-56fc75036763460e9b1d8542dc63a0c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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