Hydrochloric Acid → HCID 71575945, compound

HRID 2336585Notes

Reaction equation

HRID 2336585 reaction equation
[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[Cl:1][c:2]1[cH:3][c:4]([C:10]2([C:25]([F:26])([F:27])[F:28])[CH2:11][C:12]([c:15]3[cH:16][c:17]([CH3:24])[c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[F:8].[ClH:62].[NH2:63][CH2:64][c:65]1[cH:66][cH:67][c:68]2[c:69]([cH:76]1)[B:70]([OH:75])[O:71][C:72]2([CH3:73])[CH3:74].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:82].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Cl:1][c:2]1[cH:3][c:4]([C:10]2([C:25]([F:26])([F:27])[F:28])[CH2:11][C:12]([c:15]3[cH:16][c:17]([CH3:24])[c:18]([C:19](=[O:21])[NH:63][CH2:64][c:65]4[cH:66][cH:67][c:68]5[c:69]([cH:76]4)[B:70]([OH:75])[O:71][C:72]5([CH3:73])[CH3:74])[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[F:8]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 866854534-(5-(3,5-Dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acidHCID 866854586-(Aminomethyl)-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborol-1-ol

Product 1

HCID 71575945HCID 71575945, compound

Sources & evidence

ORD record
ord-88ebf12658444903a9b73d4993559682
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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