Water → HCID 67520948, compound

HRID 1120930Notes

Reaction equation

HRID 1120930 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23]([B:25]4[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1.[C:61](=[O:62])([O-:63])[O-:64].[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[Cs+:65].[Cs+:66].[F:35][c:36]1[cH:37][cH:38][c:39]([CH3:54])[c:40]2[cH:41][c:42]([O:46][S:47]([C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53])[n:43][cH:44][c:45]12.[OH2:67]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23](-[c:42]4[cH:41][c:40]5[c:39]([CH3:54])[cH:38][cH:37][c:36]([F:35])[c:45]5[cH:44][n:43]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 534879604-[4-[6-Amino-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylic acid tert-butyl esterHCID 86633136HCID 86633136, compound

Product 1

HCID 67520948HCID 67520948, compound

Sources & evidence

ORD record
ord-b119e1672ded4f75a44f018cd8106761
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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