Water → HCID 25099478, compound

HRID 692713Notes

Reaction equation

HRID 692713 reaction equation
[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[F:49][c:50]1[cH:51][c:52]2[cH:53][c:54]([CH3:60])[n:55]([NH2:59])[c:56]2[cH:57][cH:58]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:66].[P-:16]([F:17])([F:18])([F:19])([F:20])([F:21])[F:22].[n:1]1[c:2](-[c:7]2[n:8][cH:9][c:10]([C:13](=[O:14])[OH:15])[cH:11][n:12]2)[cH:3][cH:4][cH:5][cH:6]1.[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[n:1]1[c:2](-[c:7]2[n:8][cH:9][c:10]([C:13](=[O:15])[NH:59][n:55]3[c:54]([CH3:60])[cH:53][c:52]4[cH:51][c:50]([F:49])[cH:58][cH:57][c:56]43)[cH:11][n:12]2)[cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 249036332-(Pyridin-2-yl)pyrimidine-5-carboxylic acidHCID 685544085-Fluoro-2-methyl-indol-1-ylamine

Product 1

HCID 25099478HCID 25099478, compound

Sources & evidence

ORD record
ord-53f41f79af23490b95e45454616c1bf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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