Water → HCID 59135840, compound

HRID 1559769Notes

Reaction equation

HRID 1559769 reaction equation
[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[S:35][CH:36]([CH2:37][NH2:38])[CH:39]([O:40][CH3:41])[O:42][CH3:43].[CH3:1][N:2]([c:3]1[cH:4][c:5]([O:15][C:16]([F:17])([F:18])[F:19])[cH:6][c:7]2[cH:8][c:9]([C:12](=[O:13])[OH:14])[nH:10][c:11]12)[S:20](=[O:21])(=[O:22])[c:23]1[s:24][cH:25][cH:26][cH:27]1.[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[OH2:77].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[CH3:1][N:2]([c:3]1[cH:4][c:5]([O:15][C:16]([F:17])([F:18])[F:19])[cH:6][c:7]2[cH:8][c:9]([C:12](=[O:13])[NH:38][CH2:37][CH:36]([S:35][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH:39]([O:40][CH3:41])[O:42][CH3:43])[nH:10][c:11]12)[S:20](=[O:21])(=[O:22])[c:23]1[s:24][cH:25][cH:26][cH:27]1

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 574759902-(Benzylthio)-3,3-dimethoxypropan-1-amineHCID 574761867-[methyl(2-thienylsulfonyl)amino]-5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Product 1

HCID 59135840HCID 59135840, compound

Sources & evidence

ORD record
ord-a9b4d01199f24eaa9196f0bf9e3bc9d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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