Bicarbonate Ion → Zolenzepine

HRID 1543864Notes

Reaction equation

HRID 1543864 reaction equation
[C:29](=[O:30])([OH:31])[O-:32].[CH3:22][N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[c:6]2[c:7]([n:17]([CH3:21])[n:18][c:19]2[CH3:20])[C:8](=[O:16])[NH:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[Na+:33]>>[CH2:2]([C:3](=[O:4])[N:5]1[c:6]2[c:7]([n:17]([CH3:21])[n:18][c:19]2[CH3:20])[C:8](=[O:16])[NH:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:26]1[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 531671-MethylpiperazineHCID 205498784-Chloroacetyl-1,3-dimethyl-1,4,9,10-tetrahydropyrazolo[4,3-b][1,5]benzodiazepin-10-one

Product 1

HCID 3086085Zolenzepine

Sources & evidence

ORD record
ord-21596225f6ec4745b462b76e83c3a245
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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