Chloride → 914496-19-8

HRID 97649Notes

Reaction equation

HRID 97649 reaction equation
[Al+3:38].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([NH:28][c:29]1[cH:30][cH:31][c:32]([C:35]#[N:36])[cH:33][cH:34]1)[n:15][c:16]2[O:17][c:18]1[c:19]([CH3:27])[cH:20][c:21]([C:22]#[N:23])[cH:24][c:25]1[CH3:26].[Cl-:37].[Cl-:39].[Cl-:40].[Cl:42][c:43]1[c:44]([Cl:45])[cH:46][cH:47][cH:48][cH:49]1.[OH2:41]>>[nH:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([NH:28][c:29]1[cH:30][cH:31][c:32]([C:35]#[N:36])[cH:33][cH:34]1)[n:15][c:16]2[O:17][c:18]1[c:19]([CH3:27])[cH:20][c:21]([C:22]#[N:23])[cH:24][c:25]1[CH3:26]

Participants

6

Reactant 5

HCID 312Chloride3×HCID 962WaterHCID 72391,2-DichlorobenzeneHCID 104727Aluminum CationHCID 576935964-[7-benzyl-2-(4-cyano-phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile

Product 1

HCID 57693582914496-19-8

Sources & evidence

ORD record
ord-4246b851bb5f4e499894db743822b919
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…