Hydrochloric Acid → HCID 57841363, compound

HRID 1541539Notes

Reaction equation

HRID 1541539 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.[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][CH2:43][C:44](=[O:45])[Cl:46].[ClH:1]>>[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]([CH2:43][O:42][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)=[O:45])[cH:33][cH:34]2)[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 177085Benzyloxyacetyl chlorideHCID 114761686-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Product 1

HCID 57841363HCID 57841363, compound

Sources & evidence

ORD record
ord-943d902eb6db48dbb1ed5103ea4df22d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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