Water → Methyl {4-methyl-2-[4-(2-naphthoylamino)benzyl]-6-pyrrolidin-1-ylpyrimidin-5-yl}acetate

HRID 103158

Reaction equation

HRID 103158 reaction equation
[CH2:81]1[O:82][CH2:83][CH2:84][CH2:85]1.[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([N:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[c:10]([CH2:14][C:15](=[O:16])[O:17][CH3:18])[c:11]([CH3:13])[n:12]2)[cH:24][cH:25]1.[OH2:86].[OH:59][C:60](=[O:61])[c:62]1[cH:63][cH:64][c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[cH:71]1.[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][P+:35]([N:36]2[CH2:37][CH2:38][CH2:39][CH2:40]2)([N:41]2[CH2:42][CH2:43][CH2:44][CH2:45]2)[N:46]2[CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([N:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[c:10]([CH2:14][C:15](=[O:16])[O:17][CH3:18])[c:11]([CH3:13])[n:12]2)[cH:24][cH:25]1)[C:60](=[O:59])[c:62]1[cH:63][cH:64][c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[cH:71]1

Participants

8

Reactant 7

HCID 962WaterHCID 71232-Naphthoic acidHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 59514524Methyl[2-(4-aminobenzyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetate

Product 1

HCID 59514539Methyl {4-methyl-2-[4-(2-naphthoylamino)benzyl]-6-pyrrolidin-1-ylpyrimidin-5-yl}acetate

Sources & evidence

ORD record
ord-425426c88c914e1687ec160927724fb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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