Potassium Cation → HCID 178481878, compound

HRID 1549658Notes

Reaction equation

HRID 1549658 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:53][C:54]#[N:55].[I:39][CH2:40][C:41]1([CH3:45])[CH2:42][O:43][CH2:44]1.[K+:50].[K+:51].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([c:9]2[c:10]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:31]4[c:32]([F:38])[cH:33][cH:34][cH:35][c:36]4[F:37])[s:21][c:22]3[NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:11][n:12][n:13]2[CH3:14])[CH2:6][CH2:7][CH2:8]1.[OH2:52]>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([c:9]2[c:10]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:31]4[c:32]([F:38])[cH:33][cH:34][cH:35][c:36]4[F:37])[s:21][c:22]3[NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:11][n:12][n:13]2[CH3:14])[CH2:6][CH2:7][CH2:8]1)[CH2:40][C:41]1([CH3:45])[CH2:42][O:43][CH2:44]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 137783443-(Iodomethyl)-3-methyloxetaneHCID 67437388tert-butyl N-[4-[[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]carbamoyl]-2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]carbamate

Product 1

HCID 178481878HCID 178481878, compound

Sources & evidence

ORD record
ord-300c4cb5221740bcb1c829be6f27752a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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