Hydrochloric Acid → HCID 178464865, compound

HRID 1142798Notes

Reaction equation

HRID 1142798 reaction equation
[B-:24]([F:25])([F:26])([F:27])[F:28].[CH3:69][S:70]([CH3:71])=[O:72].[CH3:73][OH:74].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[Cl:55][c:56]1[cH:57][c:58]2[c:59]([nH:60][c:61]([CH:63]([CH3:64])[NH2:65])[n:62]2)[cH:66][cH:67]1.[Cl:68].[Cl:75][CH2:76][Cl:77].[O:1]=[c:2]1[nH:3][cH:4][cH:5][c:6]2[c:7]1[n:8][cH:9][n:10]2-[c:11]1[c:12]([C:20]([F:21])([F:22])[F:23])[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19]1.[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[O:1]=[c:2]1[nH:3][cH:4][cH:5][c:6]2[c:7]1[n:8][cH:9][n:10]2-[c:11]1[c:12]([C:20]([F:21])([F:22])[F:23])[cH:13][c:14]([C:15](=[O:16])[NH:65][CH:63]([c:61]2[nH:60][c:59]3[c:58]([cH:57][c:56]([Cl:55])[cH:67][cH:66]3)[n:62]2)[CH3:64])[cH:18][cH:19]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 69311361HCID 69311361, compoundHCID 178463384HCID 178463384, compound

Product 1

HCID 178464865HCID 178464865, compound

Sources & evidence

ORD record
ord-eb772a18cbea44ca8147062bf7644916
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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