Ethanol → HCID 69087617, compound

HRID 1553539Notes

Reaction equation

HRID 1553539 reaction equation
[Br:1][c:2]1[c:3](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:4][c:5]2[n:6]1-[c:7]1[c:8]([n:16][cH:17][cH:18][cH:19]1)[NH:9][c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1.[C:29](=[O:30])([OH:31])[O-:32].[CH3:26][CH2:27][OH:28].[CH3:34][C:35]1([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40][B:41]([c:42]2[cH:43][cH:44][c:45]([C:48]3([NH:52][C:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[CH2:49][CH2:50][CH2:51]3)[cH:46][cH:47]2)[O:60]1.[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Na+:33]>>[c:2]1(-[c:42]2[cH:43][cH:44][c:45]([C:48]3([NH:52][C:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[CH2:49][CH2:50][CH2:51]3)[cH:46][cH:47]2)[c:3](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:4][c:5]2[n:6]1-[c:7]1[c:8]([n:16][cH:17][cH:18][cH:19]1)[NH:9][c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1

Participants

7

Reactant 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 58326444tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutyl)carbamateHCID 675030133-bromo-2-phenyl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepine

Product 1

HCID 69087617HCID 69087617, compound

Sources & evidence

ORD record
ord-d863e90cff3441cfa6a147413f5d9e88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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