Bromide ion → 2-[6-(Bromomethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]acetonitrile

HRID 194658Notes

Reaction equation

HRID 194658 reaction equation
[Br-:42].[CH2:1]([c:2]1[n:3]([CH2:14][c:15]2[cH:16][c:17]3[c:18]([cH:31][cH:32]2)[C:19](=[CH:28][C:29]#[N:30])[c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]3)[c:4]2[n:5][c:6]([CH3:7])[cH:8][c:9]([CH3:10])[c:11]2[n:12]1)[CH3:13].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:43][S:44]([O:45][S:46]([CH3:47])(=[O:48])=[O:49])(=[O:50])=[O:51].[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Li+:41].[n:33]1[c:34]([CH3:35])[cH:36][cH:37][cH:38][c:39]1[CH3:40]>>[CH2:14]([c:15]1[cH:16][c:17]2[c:18]([cH:31][cH:32]1)[C:19](=[CH:28][C:29]#[N:30])[c:20]1[c:21]([cH:24][cH:25][cH:26][cH:27]1)[CH2:22][CH2:23]2)[Br:42]

Participants

9

Reactant 8

HCID 259Bromide ionHCID 79372,6-LutidineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 81560Methanesulfonic anhydrideHCID 538551762-[6-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]acetonitrile

Product 1

HCID 672107752-[6-(Bromomethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]acetonitrile

Sources & evidence

ORD record
ord-cc66eb1001ec4ff9a5f597d50a42070c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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