Acetate → HCID 178432512, compound

HRID 2136156Notes

Reaction equation

HRID 2136156 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH2:27][N:28]([CH:31]([CH3:32])[c:33]2[cH:34][c:35]([B:40]([OH:41])[OH:42])[c:36]([F:39])[n:37][cH:38]2)[CH2:29][CH2:30]1.[CH3:44][C:45](=[O:46])[O-:47].[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:12]3[O:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[c:7]2[n:8][c:9]([CH3:11])[n:10]1.[Cl:54][CH2:55][Cl:56].[K+:43].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:57]>>[c:2]1(-[c:35]2[cH:34][c:33]([CH:31]([N:28]3[CH2:27][CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:30][CH2:29]3)[CH3:32])[cH:38][n:37][c:36]2[F:39])[c:3]2[n:4][cH:5][n:6]([CH:12]3[O:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[c:7]2[n:8][c:9]([CH3:11])[n:10]1

Participants

8

Reactant 7

HCID 175AcetateHCID 813Potassium CationHCID 962WaterHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 595482686-chloro-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purineHCID 666004735-(1-(4-(Tert-butoxycarbonyl)piperazin-1-yl)ethyl)-2-fluoropyridin-3-ylboronic acid

Product 1

HCID 178432512HCID 178432512, compound

Sources & evidence

ORD record
ord-5efb364f4f7c447baca00d9ea82c5e09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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