Water → HCID 86672670, compound

HRID 1567814Notes

Reaction equation

HRID 1567814 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:12]([CH:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[CH2:19][CH:20]([F:21])[F:22])[c:5]([CH3:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:73][CH2:74][Cl:75].[NH2:56][CH2:57][c:58]1[c:59](=[O:66])[nH:60][c:61]([CH3:65])[cH:62][c:63]1[CH3:64].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[Br:1][c:2]1[cH:3][c:4]([N:12]([CH:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[CH2:19][CH:20]([F:21])[F:22])[c:5]([CH3:11])[c:6]([C:7](=[O:9])[NH:56][CH2:57][c:58]2[c:59](=[O:66])[nH:60][c:61]([CH3:65])[cH:62][c:63]2[CH3:64])[cH:10]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 70638443-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-oneHCID 86672669HCID 86672669, compound

Product 1

HCID 86672670HCID 86672670, compound

Sources & evidence

ORD record
ord-de5af302e54540cbb48c6d5584589f95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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