Acetate → 2'-(2,2-dimethylpropoxy)-7'-(1H-imidazol-2-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

HRID 2325633

Reaction equation

HRID 2325633 reaction equation
[Br:35][c:36]1[nH:37][cH:38][cH:39][n:40]1.[CH2:1]([C:2]([CH3:3])([CH3:4])[CH3:5])[O:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[O:13][c:14]1[cH:15][cH:16][c:17]([B:26]3[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]3)[cH:18][c:19]1[C:20]21[N:21]=[C:22]([NH2:25])[O:23][CH2:24]1.[CH3:47][OH:48].[K+:45].[O-:41][C:42]([CH3:43])=[O:44].[OH2:46]>>[CH2:1]([C:2]([CH3:3])([CH3:4])[CH3:5])[O:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[O:13][c:14]1[cH:15][cH:16][c:17](-[c:36]3[nH:37][cH:38][cH:39][n:40]3)[cH:18][c:19]1[C:20]21[N:21]=[C:22]([NH2:25])[O:23][CH2:24]1

Participants

7

Reactant 6

HCID 175AcetateHCID 813Potassium CationHCID 887MethanolHCID 962WaterHCID 27732612-Bromo-1H-imidazoleHCID 672464492'-(2,2-dimethylpropoxy)-7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

Product 1

HCID 672489392'-(2,2-dimethylpropoxy)-7'-(1H-imidazol-2-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

Sources & evidence

ORD record
ord-f4c22ee94db846e5b1b209ed5fab2912
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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