Water → HCID 59208081, compound

HRID 2334686Notes

Reaction equation

HRID 2334686 reaction equation
[CH:65]([N:66]([CH:67]([CH3:68])[CH3:69])[CH2:70][CH3:71])([CH3:72])[CH3:73].[Cl:74][CH2:75][Cl:76].[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:34])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:28][CH2:29][CH2:30][N:31]([CH3:32])[CH3:33])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][cH:27]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[OH2:77].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1.[s:35]1[c:36]([NH2:40])[n:37][cH:38][cH:39]1>>[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:34])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:28][CH2:29][CH2:30][N:31]([CH3:32])[CH3:33])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:40][c:36]3[s:35][cH:39][cH:38][n:37]3)[cH:25][cH:26][cH:27]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 21552-AminothiazoleHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57530501HCID 57530501, compound

Product 1

HCID 59208081HCID 59208081, compound

Sources & evidence

ORD record
ord-e67688bb4dd74c9b95d6b82f47e22705
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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