Water → HCID 67080307, compound

HRID 1133758Notes

Reaction equation

HRID 1133758 reaction equation
[CH2:51]([CH2:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[NH2:59].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26].[F:27][P-:28]([F:29])([F:30])([F:31])([F:32])[F:33].[OH2:74].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:19])[NH:59][CH2:51][CH2:52][c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26]

Participants

8

Reactant 7

HCID 962WaterHCID 1001PhenethylamineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 582443954-(6-Chloro-4-(ethoxycarbonyl)chroman-7-yloxy)benzoic acid

Product 1

HCID 67080307HCID 67080307, compound

Sources & evidence

ORD record
ord-23d6ddbc8d3e4f669d78ee35cebd54e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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