Sodium ion → HCID 178494086, compound

HRID 1238075Notes

Reaction equation

HRID 1238075 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:21][C:22](=[O:23])[c:24]2[n:25][c:26]([CH2:29][N:30]3[CH2:31][CH:32]([CH3:37])[O:33][CH:34]([CH3:36])[CH2:35]3)[s:27][cH:28]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]3)[c:9]2[cH:10]1.[CH2:62]1[O:63][CH2:64][CH2:65][O:66][CH2:67]1.[CH3:38][O:39][c:40]1[n:41][cH:42][c:43]([B:47]2[O:48][C:49]([CH3:50])([CH3:51])[C:52]([CH3:53])([CH3:54])[O:55]2)[cH:44][c:45]1[NH2:46].[Cl:68][CH2:69][Cl:70].[Na+:56].[Na+:57].[O-:58][C:59](=[O:60])[O-:61].[OH2:71]>>[c:2]1(-[c:43]2[cH:42][n:41][c:40]([O:39][CH3:38])[c:45]([NH2:46])[cH:44]2)[cH:3][c:4]([NH:21][C:22](=[O:23])[c:24]2[n:25][c:26]([CH2:29][N:30]3[CH2:31][CH:32]([CH3:37])[O:33][CH:34]([CH3:36])[CH2:35]3)[s:27][cH:28]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]3)[c:9]2[cH:10]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 595579202-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amineHCID 178427405HCID 178427405, compound

Product 1

HCID 178494086HCID 178494086, compound

Sources & evidence

ORD record
ord-a3d5ba2a7d2d42cca41a512478454cd3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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