Water → HCID 25126143, compound

HRID 1128322Notes

Reaction equation

HRID 1128322 reaction equation
[Br:1][c:2]1[c:3]([C:7](=[O:8])[OH:9])[nH:4][cH:5][cH:6]1.[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[NH2:43][CH2:44][c:45]1[c:46]([F:62])[c:47]([O:52][c:53]2[cH:54][c:55]([C:56]#[N:57])[cH:58][c:59]([Cl:61])[cH:60]2)[c:48]([Cl:51])[cH:49][cH:50]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:74].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[Br:1][c:2]1[c:3]([C:7](=[O:9])[NH:43][CH2:44][c:45]2[c:46]([F:62])[c:47]([O:52][c:53]3[cH:54][c:55]([C:56]#[N:57])[cH:58][c:59]([Cl:61])[cH:60]3)[c:48]([Cl:51])[cH:49][cH:50]2)[nH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 538307483-broMo-1H-Pyrrole-2-carboxylic acidHCID 594513923-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrile

Product 1

HCID 25126143HCID 25126143, compound

Sources & evidence

ORD record
ord-32e148eea9b74f4bae18032fe04d191c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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