Water → tert-butyl N-[[6-[[5-[[3-fluoro-2-[(2-hydroxy-2-phenylpentyl)carbamoyl]-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methyl]carbamate

HRID 2343281Notes

Reaction equation

HRID 2343281 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[s:18][c:19]([S:22][c:23]3[c:24]([F:32])[c:25]([C:29](=[O:30])[OH:31])[n:26][cH:27][cH:28]3)[cH:20][n:21]2)[n:14][cH:15]1.[CH3:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66].[CH3:76][N:77]1[CH2:78][CH2:79][CH2:80][C:81]1=[O:82].[CH:67]([N:68]([CH:69]([CH3:70])[CH3:71])[CH2:72][CH3:73])([CH3:74])[CH3:75].[NH2:33][CH2:34][C:35]([CH2:36][CH2:37][CH3:38])([OH:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[OH2:83].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[s:18][c:19]([S:22][c:23]3[c:24]([F:32])[c:25]([C:29](=[O:30])[NH:33][CH2:34][C:35]([CH2:36][CH2:37][CH3:38])([OH:39])[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[n:26][cH:27][cH:28]3)[cH:20][n:21]2)[n:14][cH:15]1

Participants

8

Reactant 7

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 229923231-Amino-2-phenylpentan-2-olHCID 592004044-(2-(5-((Tert-butoxycarbonylamino)methyl)pyridin-2-ylamino)thiazol-5-ylthio)-3-fluoropicolinic acid

Product 1

HCID 59200491tert-butyl N-[[6-[[5-[[3-fluoro-2-[(2-hydroxy-2-phenylpentyl)carbamoyl]-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methyl]carbamate

Sources & evidence

ORD record
ord-2787944d24fa4f5292c4f9f059294a9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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