Water → HCID 68834252, compound

HRID 667103Notes

Reaction equation

HRID 667103 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([NH2:26])[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[CH:27]1([C:32](=[O:33])[OH:34])[CH2:28][CH2:29][CH2:30][CH2:31]1.[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:68].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([NH:26][C:32]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31]3)=[O:33])[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 18840Cyclopentanecarboxylic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 17759542Methyl 5-(3-aminophenyl)-4-bromo-3-(2-(tert-butoxy)-2-oxoethoxy)thiophene-2-carboxylate

Product 1

HCID 68834252HCID 68834252, compound

Sources & evidence

ORD record
ord-7dfccabb1a294826a69390a12ab491a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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