Hydrochloric Acid → N-{4-[2-(1-benzothien-3-ylmethyl)-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-methyl-1,3-thiazol-2-yl}acetamide

HRID 679012Notes

Reaction equation

HRID 679012 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:35][C:36]([Cl:37])=[O:38].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[ClH:1].[K+:43].[K+:44].[NH2:2][c:3]1[s:4][c:5]([CH3:34])[c:6](-[c:8]2[n:9]([CH2:24][c:25]3[cH:26][s:27][c:28]4[c:29]3[cH:30][cH:31][cH:32][cH:33]4)[n:10][c:11]3[n:12]([CH2:20][CH:21]([CH3:22])[CH3:23])[c:13](=[O:19])[n:14]([CH3:18])[c:15](=[O:17])[c:16]23)[n:7]1>>[NH:2]([c:3]1[s:4][c:5]([CH3:34])[c:6](-[c:8]2[n:9]([CH2:24][c:25]3[cH:26][s:27][c:28]4[c:29]3[cH:30][cH:31][cH:32][cH:33]4)[n:10][c:11]3[n:12]([CH2:20][CH:21]([CH3:22])[CH3:23])[c:13](=[O:19])[n:14]([CH3:18])[c:15](=[O:17])[c:16]23)[n:7]1)[C:36]([CH3:35])=[O:38]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6367Acetyl chlorideHCID 8471TriethylamineHCID 19660Carbonate IonHCID 589811643-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-(1-benzothien-3-ylmethyl)-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Product 1

HCID 58981114N-{4-[2-(1-benzothien-3-ylmethyl)-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-methyl-1,3-thiazol-2-yl}acetamide

Sources & evidence

ORD record
ord-ea5b0be7bcde4498ae4e21fa746afca5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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