Water → HCID 67521098, compound

HRID 667567Notes

Reaction equation

HRID 667567 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:60](=[O:61])([O-:62])[O-:63].[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH3:35][c:36]1[cH:37][c:38]2[cH:39][c:40]([O:46][S:47]([C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53])[n:41][cH:42][c:43]2[cH:44][cH:45]1.[Cs+:64].[Cs+:65].[OH2:66]>>[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:40]4[cH:39][c:38]5[cH:37][c:36]([CH3:35])[cH:45][cH:44][c:43]5[cH:42][n:41]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 86633134HCID 86633134, compound

Product 1

HCID 67521098HCID 67521098, compound

Sources & evidence

ORD record
ord-f07702ed50cd439db39e47852bea5036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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