Hydrochloric Acid → N-{4-[(4-butylphenyl)ethynyl]benzyl}-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)-1,3-benzodioxole-5-carboxamide

HRID 1240556Notes

Reaction equation

HRID 1240556 reaction equation
[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:18][NH:19][c:20]3[cH:21][c:22]4[c:23]([cH:31][cH:32]3)[O:24][C:25]([CH3:29])([CH3:30])[O:26][C:27]4=[O:28])[cH:33][cH:34]2)[cH:10][cH:11]1.[ClH:1].[O:35]1[CH2:36][O:37][c:38]2[c:39]1[cH:40][cH:41][c:42]([C:44](=[O:45])[Cl:46])[cH:43]2>>[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:18][N:19]([c:20]3[cH:21][c:22]4[c:23]([cH:31][cH:32]3)[O:24][C:25]([CH3:29])([CH3:30])[O:26][C:27]4=[O:28])[C:44]([c:42]3[cH:41][cH:40][c:39]4[c:38]([cH:43]3)[O:37][CH2:36][O:35]4)=[O:45])[cH:33][cH:34]2)[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 27347491,3-Benzodioxole-5-carbonyl chlorideHCID 114761686-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Product 1

HCID 57841403N-{4-[(4-butylphenyl)ethynyl]benzyl}-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)-1,3-benzodioxole-5-carboxamide

Sources & evidence

ORD record
ord-7c3eba84b5d14808b9269501f2af3565
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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