HCID 67019715, compound → HCID 74975127, compound

HRID 106449Notes

Reaction equation

HRID 106449 reaction equation
[Br:37][c:38]1[s:39][c:40]([C:43](=[O:44])[NH:45][CH:46]2[CH2:47][CH2:48]2)[cH:41][n:42]1.[CH3:1][C:2]([C:3]#[N:4])([CH2:5][C:6]1([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:7][CH2:8][N:9]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][c:18]([B:21]3[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]3)[cH:19][cH:20]2)[C:10](=[O:12])[O:11]1)[CH3:36]>>[CH3:1][C:2]([C:3]#[N:4])([CH2:5][C:6]1([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:7][CH2:8][N:9]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][c:18](-[c:38]3[s:39][c:40]([C:43](=[O:44])[NH:45][CH:46]4[CH2:47][CH2:48]4)[cH:41][n:42]3)[cH:19][cH:20]2)[C:10](=[O:12])[O:11]1)[CH3:36]

Participants

3

Reactant 2

HCID 67019715HCID 67019715, compoundHCID 723443502,2-Dimethyl-3-[2-oxo-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-6-yl]propanenitrile

Product 1

HCID 74975127HCID 74975127, compound

Sources & evidence

ORD record
ord-67ae778442124bd7b3bfcaf82faac0b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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