Water → HCID 67355607, compound

HRID 2125223Notes

Reaction equation

HRID 2125223 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33]([CH:34]([CH2:35][CH2:36][C:37](=[O:38])[OH:39])[NH:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:80][C:81]#[N:82].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[OH2:89].[P-:56]([F:57])([F:58])([F:59])([F:60])([F:61])[F:62].[n:1]1[c:2]([O:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][c:14]3[n:15][o:16][c:17](-[c:19]4[c:20]([NH2:25])[n:21][cH:22][cH:23][cH:24]4)[cH:18]3)[cH:26][cH:27]2)[cH:3][cH:4][cH:5][cH:6]1.[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[n:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[n:1]1[c:2]([O:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][c:14]3[n:15][o:16][c:17](-[c:19]4[c:20]([NH:25][C:37]([CH2:36][CH2:35][CH:34]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:48])[NH:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:38])[n:21][cH:22][cH:23][cH:24]4)[cH:18]3)[cH:26][cH:27]2)[cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 29548424277-39-2HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 16719049E-1210

Product 1

HCID 67355607HCID 67355607, compound

Sources & evidence

ORD record
ord-8eab2cef527948fe88f6f22cdb542be9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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