Water → Tert-butyl (6-(5-(3-fluoro-2-((1-(2-hydroxyethyl)-4-phenylpiperidin-4-yl)methylcarbamoyl)pyridin-4-ylthio)thiazol-2-ylamino)pyridin-3-yl)methyl(methyl)carbamate

HRID 201015Notes

Reaction equation

HRID 201015 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14]([NH:17][c:18]2[s:19][c:20]([S:23][c:24]3[c:25]([F:33])[c:26]([C:30](=[O:31])[OH:32])[n:27][cH:28][cH:29]3)[cH:21][n:22]2)[n:15][cH:16]1.[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[CH3:81][N:82]1[CH2:83][CH2:84][CH2:85][C:86]1=[O:87].[CH:72]([N:73]([CH:74]([CH3:75])[CH3:76])[CH2:77][CH3:78])([CH3:79])[CH3:80].[NH2:55][CH2:56][C:57]1([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[CH2:58][CH2:59][N:60]([CH2:63][CH2:64][OH:65])[CH2:61][CH2:62]1.[OH2:88].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14]([NH:17][c:18]2[s:19][c:20]([S:23][c:24]3[c:25]([F:33])[c:26]([C:30](=[O:31])[NH:55][CH2:56][C:57]4([c:66]5[cH:67][cH:68][cH:69][cH:70][cH:71]5)[CH2:58][CH2:59][N:60]([CH2:63][CH2:64][OH:65])[CH2:61][CH2:62]4)[n:27][cH:28][cH:29]3)[cH:21][n:22]2)[n:15][cH:16]1

Participants

8

Reactant 7

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 592004604-(2-(5-((Tert-butoxycarbonyl(methyl)amino)methyl)pyridin-2-ylamino)thiazol-5-ylthio)-3-fluoropicolinic acidHCID 592645442-(4-(Aminomethyl)-4-phenylpiperidin-1-yl)ethanol

Product 1

HCID 59321438Tert-butyl (6-(5-(3-fluoro-2-((1-(2-hydroxyethyl)-4-phenylpiperidin-4-yl)methylcarbamoyl)pyridin-4-ylthio)thiazol-2-ylamino)pyridin-3-yl)methyl(methyl)carbamate

Sources & evidence

ORD record
ord-1c11df96c9a14cd88b053e88592cd024
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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