Water → HCID 178435938, compound

HRID 664694

Reaction equation

HRID 664694 reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][CH:33]([C:34](=[O:35])[OH:36])[c:37]1[cH:38][cH:39][c:40]([O:43][CH2:44][CH2:45][O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[cH:41][cH:42]1.[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[Cl:1][c:2]1[n:3][c:4]([CH:15]([CH:16]([CH3:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[NH2:24])[nH:5][c:6]1-[c:7]1[c:8]([F:14])[cH:9][c:10]([I:13])[cH:11][cH:12]1.[OH2:75].[OH:60][n:61]1[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[Cl:1][c:2]1[n:3][c:4]([CH:15]([CH:16]([CH3:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[NH:24][C:34]([CH:33]([NH:32][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[c:37]2[cH:38][cH:39][c:40]([O:43][CH2:44][CH2:45][O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[cH:41][cH:42]2)=[O:35])[nH:5][c:6]1-[c:7]1[c:8]([F:14])[cH:9][c:10]([I:13])[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 668151662-[(2-Methylpropan-2-yl)oxycarbonylamino]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acidHCID 178435932HCID 178435932, compound

Product 1

HCID 178435938HCID 178435938, compound

Sources & evidence

ORD record
ord-bd69013621aa4f8c896a66833cc1d3c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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