Water → HCID 46941284, compound

HRID 1210222Notes

Reaction equation

HRID 1210222 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:16][cH:17]1)[N:7]([CH2:12][C:13](=[O:14])[OH:15])[C:8](=[O:11])[CH2:9][O:10]2.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:81][C:82]#[N:83].[Li:18].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH2:84].[OH:74][C:75]([C:76]([F:77])([F:78])[F:79])=[O:80].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[c:19]1(-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:20][cH:21][c:22]([CH:25]([CH2:26][N:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[NH:32][CH3:33])[cH:23][cH:24]1.[n:54]1([O:55][P+:56]([N:57]([CH3:58])[CH3:59])([N:60]([CH3:61])[CH3:62])[N:63]([CH3:64])[CH3:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:16][cH:17]1)[N:7]([CH2:12][C:13](=[O:15])[N:32]([CH:25]([c:22]1[cH:21][cH:20][c:19](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:24][cH:23]1)[CH2:26][N:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1)[CH3:33])[C:8](=[O:11])[CH2:9][O:10]2

Participants

11

Reactant 10

HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 27567161-([1,1'-Biphenyl]-4-yl)-N-methyl-2-(pyrrolidin-1-yl)ethan-1-amineHCID 3028194LithiumHCID 57488854HCID 57488854, compound

Product 1

HCID 46941284HCID 46941284, compound

Sources & evidence

ORD record
ord-63a591ba487a48a5837caa29f09748c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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