Acetonitrile → HCID 135516505, compound

HRID 177086Notes

Reaction equation

HRID 177086 reaction equation
[C:42]([Br:43])([Br:44])([Br:45])[Br:46].[CH3:47][C:48]#[N:49].[OH:1][CH2:2][c:3]1[n:4][c:5](-[c:8]2[cH:9][c:10]([C:19]([CH3:20])([CH3:21])[CH3:22])[c:11]([OH:18])[c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]2)[o:6][cH:7]1.[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH2:2]([c:3]1[n:4][c:5](-[c:8]2[cH:9][c:10]([C:19]([CH3:20])([CH3:21])[CH3:22])[c:11]([OH:18])[c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]2)[o:6][cH:7]1)[Br:43]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 11205Carbon tetrabromideHCID 11776TriphenylphosphineHCID 135418213HCID 135418213, compound

Product 1

HCID 135516505HCID 135516505, compound

Sources & evidence

ORD record
ord-2a681a0cc44f40a1a8b8ab613e6dcb64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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