Water → HCID 58447638, compound

HRID 672584Notes

Reaction equation

HRID 672584 reaction equation
[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[F:17][c:18]1[cH:19][c:20](-[c:24]2[cH:25][cH:26][c:27]([NH2:30])[cH:28][n:29]2)[cH:21][cH:22][cH:23]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:75].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[S:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([CH2:13][C:14](=[O:15])[OH:16])[cH:11][n:12]2)[CH2:5][CH2:6]1.[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[S:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([CH2:13][C:14](=[O:16])[NH:30][c:27]3[cH:26][cH:25][c:24](-[c:20]4[cH:19][c:18]([F:17])[cH:23][cH:22][cH:21]4)[n:29][cH:28]3)[cH:11][n:12]2)[CH2:5][CH2:6]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 463118956-(3-Fluorophenyl)pyridin-3-amineHCID 58447828HCID 58447828, compound

Product 1

HCID 58447638HCID 58447638, compound

Sources & evidence

ORD record
ord-68bca5da4d1b410c867f3179c9f7496e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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