Sodium ion → HCID 178508564, compound

HRID 1120004

Reaction equation

HRID 1120004 reaction equation
[BH4-:44].[CH3:46][CH:47]([OH:48])[CH3:49].[N:1](=[N+:2]=[N-:3])[c:4]1[c:5]2[n:6][cH:7][n:8]([CH:14]3[CH:15]([O:16][CH2:17][c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[CH:24]([O:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH:33]([CH2:35][O:36][CH2:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[O:34]3)[c:9]2[n:10][c:11]([F:13])[n:12]1.[Na+:45].[OH2:50]>>[NH2:1][c:4]1[c:5]2[n:6][cH:7][n:8]([CH:14]3[CH:15]([O:16][CH2:17][c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[CH:24]([O:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH:33]([CH2:35][O:36][CH2:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[O:34]3)[c:9]2[n:10][c:11]([F:13])[n:12]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 3776IsopropanolHCID 28123BorohydrideHCID 178514531HCID 178514531, compound

Product 1

HCID 178508564HCID 178508564, compound

Sources & evidence

ORD record
ord-4703baf4ad26450d8b028668d1ef0ac4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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