Water → HCID 57810203, compound

HRID 1232157Notes

Reaction equation

HRID 1232157 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[C:25]4([C:28](=[O:29])[OH:30])[CH2:26][CH2:27]4)[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[F:31][c:32]1[cH:33][cH:34][c:35]([CH2:36][NH2:37])[cH:38][cH:39]1.[OH2:73].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[C:25]4([C:28](=[O:30])[NH:37][CH2:36][c:35]5[cH:34][cH:33][c:32]([F:31])[cH:39][cH:38]5)[CH2:26][CH2:27]4)[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]

Participants

7

Reactant 6

HCID 962WaterHCID 9886HexafluorophosphateHCID 673264-FluorobenzylamineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57810164849217-77-2

Product 1

HCID 57810203HCID 57810203, compound

Sources & evidence

ORD record
ord-51af9cad76df48cfaebf845a234c48f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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