Hydrochloric Acid → 1-(4-(6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl)-3-(3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-oxopropyl)urea

HRID 1552724Notes

Reaction equation

HRID 1552724 reaction equation
[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:41][C:42]1([CH3:50])[O:43][C:44](=[O:49])[CH2:45][C:46](=[O:48])[O:47]1.[CH3:54][N:55]([CH3:56])[c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[Cl:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([Cl:12])[cH:11]1)[CH2:8][N:7]([CH3:13])[CH2:6][CH:5]2[c:14]1[cH:15][cH:16][c:17]([NH:20][C:21]([NH:22][CH2:23][CH2:24][C:25](=[O:26])[OH:27])=[O:28])[cH:18][cH:19]1.[Cl:51][CH2:52][Cl:53].[ClH:29]>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([Cl:12])[cH:11]1)[CH2:8][N:7]([CH3:13])[CH2:6][CH:5]2[c:14]1[cH:15][cH:16][c:17]([NH:20][C:21]([NH:22][CH2:23][CH2:24][C:25](=[O:26])[CH:45]2[C:44](=[O:49])[O:43][C:42]([CH3:41])([CH3:50])[O:47][C:46]2=[O:48])=[O:28])[cH:18][cH:19]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 162492,2-Dimethyl-1,3-dioxane-4,6-dioneHCID 46843242HCID 46843242, compound

Product 1

HCID 674579011-(4-(6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl)-3-(3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-oxopropyl)urea

Sources & evidence

ORD record
ord-a1c40451752643f292942dac456e3488
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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