Hydrochloric Acid → HCID 57841390, compound

HRID 316827Notes

Reaction equation

HRID 316827 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].[cH:35]1[c:36]([C:45](=[O:46])[Cl:47])[cH:37][cH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]12>>[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:45]([c:36]3[cH:35][c:44]4[c:39]([cH:38][cH:37]3)[cH:40][cH:41][cH:42][cH:43]4)=[O:46])[cH:33][cH:34]2)[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 752462-Naphthoyl chlorideHCID 114761686-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Product 1

HCID 57841390HCID 57841390, compound

Sources & evidence

ORD record
ord-5c997b026d074e819cdbeb0ba3c98918
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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