Methanol → HCID 68603955, compound

HRID 1549396Notes

Reaction equation

HRID 1549396 reaction equation
[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41]([NH:42][CH2:43][CH2:44][NH2:45])=[O:46].[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH3:82][OH:83].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[Cl:1][c:2]1[c:3](-[c:24]2[cH:25][n:26][c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][c:29]2[C:30]#[N:31])[cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[c:10]([O:11][CH2:12][CH2:13][C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19][cH:20]2)[CH3:21])[cH:22][cH:23]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:58][n:59]1[c:60]2[c:61]([cH:62][cH:63][cH:64][cH:65]2)[n:66][n:67]1>>[Cl:1][c:2]1[c:3](-[c:24]2[cH:25][n:26][c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][c:29]2[C:30]#[N:31])[cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[c:10]([O:11][CH2:12][CH2:13][C:14](=[O:15])[NH:45][CH2:44][CH2:43][NH:42][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:46])[cH:17][cH:18][cH:19][cH:20]2)[CH3:21])[cH:22][cH:23]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 187201N-BOC-ethylenediamineHCID 251587413-(2-{[4-Chloro-3-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-benzoyl]-methyl-amino}-phenoxy)-propionic acid

Product 1

HCID 68603955HCID 68603955, compound

Sources & evidence

ORD record
ord-495672572034429f96a7f5d5c8825cf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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