Sodium ion → HCID 22347315, compound

HRID 2350444Notes

Reaction equation

HRID 2350444 reaction equation
[CH2:55]([CH2:56][O:57][CH3:58])[O:59][CH3:60].[CH3:19][O:20][c:21]1[c:22]([NH:36][C:37](=[O:38])[c:39]2[n:40]([CH3:48])[c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]3[cH:47]2)[cH:23][cH:24][c:25]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:26]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[n:8]2[n:9][c:10]([I:18])[c:11]3[c:12]2[n:13][cH:14][n:15][c:16]3[NH2:17])[cH:7]1.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:61]>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[n:8]2[n:9][c:10](-[c:25]3[cH:24][cH:23][c:22]([NH:36][C:37](=[O:38])[c:39]4[n:40]([CH3:48])[c:41]5[cH:42][cH:43][cH:44][cH:45][c:46]5[cH:47]4)[c:21]([O:20][CH3:19])[cH:26]3)[c:11]3[c:12]2[n:13][cH:14][n:15][c:16]3[NH2:17])[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 22347095N-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-methyl-1H-indole-2-carboxamideHCID 22347132HCID 22347132, compound

Product 1

HCID 22347315HCID 22347315, compound

Sources & evidence

ORD record
ord-80a66cc3af9249c4b15a0d9213947b26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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