Chloride → HCID 21182651, compound

HRID 147151Notes

Reaction equation

HRID 147151 reaction equation
[BH4-:41].[CH3:45][CH2:46][OH:47].[CH3:48][OH:49].[Cl-:40].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]([C:16](=[O:17])[c:18]2[c:19]3[c:20]([s:21][c:22]2[N:23]([CH3:24])[CH3:25])[cH:26][c:27]([O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:28][cH:29]3)[cH:7][cH:8][c:9]1[CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1.[Na+:42].[Na+:44].[OH-:43].[OH2:38].[OH2:39].[OH2:50]>>[NH2:1][c:4]1[cH:5][c:6]([C:16](=[O:17])[c:18]2[c:19]3[c:20]([s:21][c:22]2[N:23]([CH3:24])[CH3:25])[cH:26][c:27]([O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:28][cH:29]3)[cH:7][cH:8][c:9]1[CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 702EthanolHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962Water3×HCID 28123BorohydrideHCID 21182666HCID 21182666, compound

Product 1

HCID 21182651HCID 21182651, compound

Sources & evidence

ORD record
ord-c5bb8554f045474dace13e4463df52ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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