Hydrochloric Acid → HCID 66831833, compound

HRID 672256Notes

Reaction equation

HRID 672256 reaction equation
[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[ClH:1].[F:17][c:18]1[c:19]([CH2:20][c:21]2[cH:22][c:23]([C:26](=[O:27])[OH:28])[n:24][o:25]2)[cH:29][c:30]([F:33])[cH:31][cH:32]1.[NH:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[CH2:6][CH2:7]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[N:2]1([C:26]([c:23]2[cH:22][c:21]([CH2:20][c:19]3[c:18]([F:17])[cH:32][cH:31][c:30]([F:33])[cH:29]3)[o:25][n:24]2)=[O:27])[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 7022353-(4-Piperidinyl)-1H-indoleHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668320395-(2,5-Difluorobenzyl)isoxazole-3-carboxylic acid

Product 1

HCID 66831833HCID 66831833, compound

Sources & evidence

ORD record
ord-140ce3c24d0946a89f82cbb1257391e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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