Benzene → HCID 68644435, compound

HRID 2335529Notes

Reaction equation

HRID 2335529 reaction equation
[BH4-:48].[CH:1](=[O:2])[c:3]1[c:4]([CH3:20])[c:5]([O:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]2)[c:6]([CH3:9])[n:7][cH:8]1.[NH2:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][cH:30][c:31]([C:34]#[N:35])[cH:32][cH:33]2)[cH:26][cH:27]1.[Na+:49].[OH2:36].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1.[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH2:1]([c:3]1[c:4]([CH3:20])[c:5]([O:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]2)[c:6]([CH3:9])[n:7][cH:8]1)[NH:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][cH:30][c:31]([C:34]#[N:35])[cH:32][cH:33]2)[cH:26][cH:27]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 28123BorohydrideHCID 971934-Amino-4'-cyanobiphenylHCID 86240729HCID 86240729, compound

Product 1

HCID 68644435HCID 68644435, compound

Sources & evidence

ORD record
ord-24fae9b994ec4bae91e47ff583595a9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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