Ammonium → HCID 23652793, compound

HRID 2348664Notes

Reaction equation

HRID 2348664 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:24][O:25][C:26](=[O:27])[c:28]1[cH:29][cH:30][cH:31][c:32]2[cH:33][c:34]([CH2:38][c:39]3[n:40][cH:41][n:42][c:43]([NH:45][C:46]([CH3:47])=[O:48])[cH:44]3)[cH:35][cH:36][c:37]12.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([CH2:12][c:13]2[c:14]([C:20]([F:21])([F:22])[F:23])[cH:15][c:16]([NH2:19])[cH:17][cH:18]2)[CH2:10][CH2:11]1.[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[Cl-:49].[NH4+:50]>>[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([CH2:12][c:13]2[c:14]([C:20]([F:21])([F:22])[F:23])[cH:15][c:16]([NH:19][C:26](=[O:25])[c:28]3[cH:29][cH:30][cH:31][c:32]4[cH:33][c:34]([CH2:38][c:39]5[n:40][cH:41][n:42][c:43]([NH:45][C:46]([CH3:47])=[O:48])[cH:44]5)[cH:35][cH:36][c:37]34)[cH:17][cH:18]2)[CH2:10][CH2:11]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 1140TolueneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16682925TrimethylaluminumHCID 46838908AP-24592HCID 66639920HCID 66639920, compound

Product 1

HCID 23652793HCID 23652793, compound

Sources & evidence

ORD record
ord-9bd1054db7a0463398c13335a11fa9ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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