Water → HCID 178471262, compound

HRID 2350114Notes

Reaction equation

HRID 2350114 reaction equation
[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH:64]([N:65]([CH:66]([CH3:67])[CH3:68])[CH2:69][CH3:70])([CH3:71])[CH3:72].[N:16]1([C:25](=[O:26])[NH:27][c:28]2[c:29]([O:38][CH3:39])[cH:30][c:31]([CH2:34][C:35](=[O:36])[OH:37])[cH:32][cH:33]2)[CH2:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]21.[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:15])[cH:6][cH:7]1.[OH2:78].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:15])[cH:6][cH:7]1)[C:35]([CH2:34][c:31]1[cH:30][c:29]([O:38][CH3:39])[c:28]([NH:27][C:25]([N:16]2[CH2:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]32)=[O:26])[cH:33][cH:32]1)=[O:36]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 229942374-[(2,3-Dihydro-indole-1-carbonyl)-amino]-3-methoxy-phenyl-acetic acidHCID 69526732Ethyl 3-(4-aminophenyl)butanoate

Product 1

HCID 178471262HCID 178471262, compound

Sources & evidence

ORD record
ord-2b983080767342c59fcb352a8aa4c670
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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