Ethanol → N-({4-[({6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl}carbonyl)amino]-3-methylphenyl}sulfonyl)glycine

HRID 685277Notes

Reaction equation

HRID 685277 reaction equation
[CH3:118][CH2:119][OH:120].[CH:27]([NH:28][CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[CH:34]1([CH2:35][NH:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:43][CH2:44]1.[CH:45]1([N:51]([c:52]2[cH:53][c:54]([C:58](=[O:59])[NH:60][c:61]3[c:62]([CH3:76])[cH:63][c:64]([S:67](=[O:68])(=[O:69])[NH:70][CH2:71][C:72](=[O:73])[O:74][CH3:75])[cH:65][cH:66]3)[n:55][cH:56][n:57]2)[CH2:77][CH:78]2[CH2:79][CH2:80]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[CH:81]1([N:82]([CH2:83][CH:84]2[CH2:85][CH2:86]2)[c:87]2[n:88][cH:89][n:90][c:91]([C:92]([NH:93][c:94]3[cH:95][cH:96][c:97]([S:98]([NH:99][CH2:100][C:101]([O:102][CH2:103][CH3:104])=[O:105])(=[O:106])=[O:107])[cH:108][c:109]3[CH3:110])=[O:111])[cH:112]2)[CH2:113][CH2:114][CH2:115][CH2:116][CH2:117]1.[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([C:7]([NH:8][c:9]2[cH:10][cH:11][c:12]([S:13]([NH:14][CH2:15][C:16]([O:17][CH3:18])=[O:19])(=[O:20])=[O:21])[cH:22][c:23]2[CH3:24])=[O:25])[cH:26]1>>[CH:45]1([N:51]([c:52]2[cH:53][c:54]([C:58](=[O:59])[NH:60][c:61]3[c:62]([CH3:76])[cH:63][c:64]([S:67](=[O:68])(=[O:69])[NH:70][CH2:71][C:72](=[O:73])[OH:74])[cH:65][cH:66]3)[n:55][cH:56][n:57]2)[CH2:77][CH:78]2[CH2:79][CH2:80]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1

Participants

7

Reactant 6

HCID 702EthanolHCID 7912DiisopropylamineHCID 1531432N-(cyclopropylmethyl)cyclohexanamineHCID 59446920Methyl 2-(4-(6-chloropyrimidine-4-carboxamido)-3-methylphenylsulfonamido)acetateHCID 67529295Ethyl 2-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)acetateHCID 67530211Methyl 2-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)acetate

Product 1

HCID 25182909N-({4-[({6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl}carbonyl)amino]-3-methylphenyl}sulfonyl)glycine

Sources & evidence

ORD record
ord-ff679359163e4e0bac93a809342eb480
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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