Hydrochloric Acid → HCID 68156494, compound

HRID 1240963Notes

Reaction equation

HRID 1240963 reaction equation
[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH2:71][CH3:72])([CH3:73])[CH3:74].[ClH:33].[F:1][C:2]1([F:32])[CH2:3][CH:4]([CH:6]([c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]2)[NH:16][c:17]2[cH:18][n:19][c:20](-[n:23]3[cH:24][n:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]3)[cH:21][cH:22]2)[CH2:5]1.[NH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[F:1][C:2]1([F:32])[CH2:3][CH:4]([CH:6]([c:7]2[cH:8][cH:9][c:10]([C:11](=[O:13])[NH:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:14][cH:15]2)[NH:16][c:17]2[cH:18][n:19][c:20](-[n:23]3[cH:24][n:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]3)[cH:21][cH:22]2)[CH2:5]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 419889Ethyl 3-aminopropanoateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68157608HCID 68157608, compound

Product 1

HCID 68156494HCID 68156494, compound

Sources & evidence

ORD record
ord-ad6ac660b4034a2aad140ba0050ffea4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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