Water → HCID 59507059, compound

HRID 1216098Notes

Reaction equation

HRID 1216098 reaction equation
[F:1][C:2]([CH:3]([F:4])[F:5])([O:6][c:7]1[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15]1)[F:16].[NH2:41][c:42]1[cH:43][cH:44][c:45]([CH3:64])[c:46]([O:47][c:48]2[cH:49][cH:50][c:51]3[c:52]([n:53]2)[s:54][c:55]([NH:57][C:58](=[O:59])[CH:60]2[CH2:61][CH2:62]2)[n:56]3)[cH:63]1.[OH2:65].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[F:1][C:2]([CH:3]([F:4])[F:5])([O:6][c:7]1[cH:8][c:9]([C:10](=[O:12])[NH:41][c:42]2[cH:43][cH:44][c:45]([CH3:64])[c:46]([O:47][c:48]3[cH:49][cH:50][c:51]4[c:52]([n:53]3)[s:54][c:55]([NH:57][C:58](=[O:59])[CH:60]3[CH2:61][CH2:62]3)[n:56]4)[cH:63]2)[cH:13][cH:14][cH:15]1)[F:16]

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 9886HexafluorophosphateHCID 5786803-(1,1,2,2-Tetrafluoroethoxy)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58451281HCID 58451281, compound

Product 1

HCID 59507059HCID 59507059, compound

Sources & evidence

ORD record
ord-a2ec30c36f28489aa736087a825eac0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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