N-methyl-2-pyrrolidone → N-(2-hydroxy-2,2-diphenylethyl)-4-(2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazol-5-ylthio)picolinamide

HRID 2324030Notes

Reaction equation

HRID 2324030 reaction equation
[CH3:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH2:65][CH2:66][N:67]([CH3:68])[CH3:69].[CH3:79][N:80]1[CH2:81][CH2:82][CH2:83][C:84]1=[O:85].[CH:70]([N:71]([CH:72]([CH3:73])[CH3:74])[CH2:75][CH3:76])([CH3:77])[CH3:78].[NH2:33][CH2:34][C:35]([OH:36])([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][c:12]([NH:17][c:18]3[s:19][c:20]([S:23][c:24]4[cH:25][c:26]([C:30](=[O:31])[OH:32])[n:27][cH:28][cH:29]4)[cH:21][n:22]3)[n:13][c:14]([CH3:16])[n:15]2)[CH2:8][CH2:9]1.[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][c:12]([NH:17][c:18]3[s:19][c:20]([S:23][c:24]4[cH:25][c:26]([C:30](=[O:32])[NH:33][CH2:34][C:35]([OH:36])([c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[c:43]5[cH:44][cH:45][cH:46][cH:47][cH:48]5)[n:27][cH:28][cH:29]4)[cH:21][n:22]3)[n:13][c:14]([CH3:16])[n:15]2)[CH2:8][CH2:9]1

Participants

7

Reactant 6

HCID 13387N-methyl-2-pyrrolidoneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2018282-Amino-1,1-diphenylethanolHCID 592004034-(2-(6-(4-(2-Hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazol-5-ylthio)picolinic acid

Product 1

HCID 59200421N-(2-hydroxy-2,2-diphenylethyl)-4-(2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazol-5-ylthio)picolinamide

Sources & evidence

ORD record
ord-9ec258dc22314be7828a97f8f4e04c4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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