Hydrochloric Acid → HCID 71575886, compound

HRID 667205Notes

Reaction equation

HRID 667205 reaction equation
[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:26]([F:27])([F:28])[F:29])[CH2:10][C:11]([c:14]3[n:15]4[cH:16][cH:17][cH:18][c:19]4[c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[ClH:63].[NH2:64][CH2:65][CH2:66][c:67]1[cH:68][cH:69][c:70]2[c:71]([cH:78]1)[B:72]([OH:77])[O:73][C:74]2([CH3:75])[CH3:76].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:26]([F:27])([F:28])[F:29])[CH2:10][C:11]([c:14]3[n:15]4[cH:16][cH:17][cH:18][c:19]4[c:20]([C:23](=[O:25])[NH:64][CH2:65][CH2:66][c:67]4[cH:68][cH:69][c:70]5[c:71]([cH:78]4)[B:72]([OH:77])[O:73][C:74]5([CH3:75])[CH3:76])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1

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 67247370HCID 67247370, compoundHCID 866854832,1-Benzoxaborole-6-ethanamine, 1,3-dihydro-1-hydroxy-3,3-dimethyl-

Product 1

HCID 71575886HCID 71575886, compound

Sources & evidence

ORD record
ord-daf48c613e0545c6b4867922dd07935c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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