Dichloromethane → 1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-ethyl-amide

HRID 944979

Reaction equation

HRID 944979 reaction equation
[CH3:20][n:21]1[n:22][c:23]([CH3:30])[c:24]([C:27](=[O:28])[OH:29])[c:25]1[CH3:26].[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[CH3:82][N:83]([CH3:84])[c:85]1[cH:86][cH:87][n:88][cH:89][cH:90]1.[CH:39]1([CH2:42][n:43]2[c:44](=[O:71])[n:45]([CH2:63][c:64]3[c:65]([F:70])[cH:66][cH:67][cH:68][cH:69]3)[c:46](=[O:62])[c:47]3[nH:48][c:49]([CH2:52][c:53]4[cH:54][cH:55][c:56]([NH:59][CH2:60][CH3:61])[cH:57][cH:58]4)[n:50][c:51]23)[CH2:40][CH2:41]1.[Cl:31][N:32]1[C:33](=[O:34])[CH2:35][CH2:36][C:37]1=[O:38].[Cl:79][CH2:80][Cl:81].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:20][n:21]1[n:22][c:23]([CH3:30])[c:24]([C:27](=[O:29])[N:59]([c:56]2[cH:55][cH:54][c:53]([CH2:52][c:49]3[nH:48][c:47]4[c:46](=[O:62])[n:45]([CH2:63][c:64]5[c:65]([F:70])[cH:66][cH:67][cH:68][cH:69]5)[c:44](=[O:71])[n:43]([CH2:42][CH:39]5[CH2:40][CH2:41]5)[c:51]4[n:50]3)[cH:58][cH:57]2)[CH2:60][CH3:61])[c:25]1[CH3:26]

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 142844-(Dimethylamino)pyridineHCID 31398ChlorosuccinimideHCID 7365141,3,5-trimethyl-1H-pyrazole-4-carboxylic acidHCID 218918193-Cyclopropylmethyl-8-[4-(ethyl-amino)-benzyl]-1-(2-fluorobenzyl)-3,7-dihydro-purine-2,6-dione

Product 1

HCID 587392471,3,5-trimethyl-1H-pyrazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-ethyl-amide

Sources & evidence

ORD record
ord-2c1b5f5d2785412ea4f457a4947f4801
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Linked notes

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