Hydrochloric Acid → 2,2-Dimethyl-propionic acid 8-(4-acetylamino-benzyl)-3-butyl-1-[2-(tert-butyl-dimethyl-silanyloxy)-benzyl]-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl ester

HRID 698392Notes

Reaction equation

HRID 698392 reaction equation
[Br:41][CH2:42][c:43]1[c:44]([O:45][Si:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])[cH:53][cH:54][cH:55][cH:56]1.[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][c:10]2[n:11][c:12]3[n:13]([CH2:29][CH2:30][CH2:31][CH3:32])[c:14](=[O:28])[nH:15][c:16](=[O:27])[c:17]3[n:18]2[CH2:19][O:20][C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:33][cH:34]1.[CH2:64]([N+:65]([CH2:66][CH2:67][CH2:68][CH3:69])([CH2:70][CH2:71][CH2:72][CH3:73])[CH2:74][CH2:75][CH2:76][CH3:77])[CH2:78][CH2:79][CH3:80].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[ClH:81].[I-:63].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:57]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][c:10]2[n:11][c:12]3[n:13]([CH2:29][CH2:30][CH2:31][CH3:32])[c:14](=[O:28])[n:15]([CH2:42][c:43]4[c:44]([O:45][Si:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])[cH:53][cH:54][cH:55][cH:56]4)[c:16](=[O:27])[c:17]3[n:18]2[CH2:19][O:20][C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:33][cH:34]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 13594450[2-(Bromomethyl)phenoxy](tert-butyl)dimethylsilaneHCID 587392662,2-Dimethyl-propionic acid 8-(4-acetylamino-benzyl)-3-butyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl ester

Product 1

HCID 688632082,2-Dimethyl-propionic acid 8-(4-acetylamino-benzyl)-3-butyl-1-[2-(tert-butyl-dimethyl-silanyloxy)-benzyl]-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl ester

Sources & evidence

ORD record
ord-2afa2dfe96fe45a59953fb8ba958b976
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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