Water → HCID 25029940, compound

HRID 1569492Notes

Reaction equation

HRID 1569492 reaction equation
[CH2:1]([CH3:2])[N:3]1[CH:4]([C:13](=[O:14])[OH:15])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[C:11]1=[O:12].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[Cl:35][c:36]1[c:37]([CH2:43][NH2:44])[cH:38][cH:39][c:40]([Cl:42])[cH:41]1.[OH2:74].[OH:16][n:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[n:24][n:25]1.[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH2:1]([CH3:2])[N:3]1[CH:4]([C:13](=[O:15])[NH:44][CH2:43][c:37]2[c:36]([Cl:35])[cH:41][c:40]([Cl:42])[cH:39][cH:38]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[C:11]1=[O:12]

Participants

9

Reactant 8

HCID 962WaterHCID 14852,4-DichlorobenzylamineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67201188HCID 67201188, compound

Product 1

HCID 25029940HCID 25029940, compound

Sources & evidence

ORD record
ord-7744d2533a95476aa9a6fc1c862ba2ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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