Hydrochloric Acid → HCID 71576225, compound

HRID 136538Notes

Reaction equation

HRID 136538 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][CH2:65][c:66]1[cH:67][cH:68][c:69]2[c:70]([cH:77]1)[B:71]([OH:76])[O:72][C:73]2([CH3:74])[CH3:75].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:83].[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][CH2:65][c:66]4[cH:67][cH:68][c:69]5[c:70]([cH:77]4)[B:71]([OH:76])[O:72][C:73]5([CH3:74])[CH3:75])[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 866854832,1-Benzoxaborole-6-ethanamine, 1,3-dihydro-1-hydroxy-3,3-dimethyl-

Product 1

HCID 71576225HCID 71576225, compound

Sources & evidence

ORD record
ord-67378289f0e24307ac130bbb3fb4af85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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