Sodium ion → HCID 178464190, compound

HRID 1131576Notes

Reaction equation

HRID 1131576 reaction equation
[Br:39][CH2:40][c:41]1[cH:42][cH:43][c:44]([C:45](=[O:46])[O:47][CH3:48])[cH:49][cH:50]1.[CH3:1][CH:2]1[N:3]([CH:9]([c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:21][cH:22]2)[c:23]2[cH:24][c:25]([OH:29])[cH:26][cH:27][cH:28]2)[CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:51][C:52]#[N:53].[I-:31].[Na+:30]>>[CH3:1][CH:2]1[N:3]([CH:9]([c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:21][cH:22]2)[c:23]2[cH:24][c:25]([OH:29])[cH:26][cH:27][cH:28]2)[CH2:4][CH:5]([CH3:8])[N:6]([CH2:40][c:41]2[cH:42][cH:43][c:44]([C:45](=[O:46])[O:47][CH3:48])[cH:49][cH:50]2)[CH2:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6342AcetonitrileHCID 8471TriethylamineHCID 30165Iodide IonHCID 256687Methyl 4-(bromomethyl)benzoateHCID 223500184-[(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

Product 1

HCID 178464190HCID 178464190, compound

Sources & evidence

ORD record
ord-0290ecfbb69e4cbba2684187a7e3d2fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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