Water → HCID 68653423, compound

HRID 2133110Notes

Reaction equation

HRID 2133110 reaction equation
[B-:44]([F:45])([F:46])([F:47])[F:48].[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][N:37]([CH2:40][C:41](=[O:42])[OH:43])[CH2:38][CH2:39]1.[CH2:66]([N:67]([CH2:68][CH3:69])[CH2:70][CH3:71])[CH3:72].[CH3:1][C:2]1([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[cH:19][cH:20]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH3:1][C:2]1([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][N:24]([C:41]([CH2:40][N:37]4[CH2:36][CH2:35][N:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:39][CH2:38]4)=[O:42])[CH2:25][CH2:26]3)[cH:19][cH:20]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 27356422-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}acetic acidHCID 23081132HCID 23081132, compound

Product 1

HCID 68653423HCID 68653423, compound

Sources & evidence

ORD record
ord-ab21d5b627d6407fb827ddd3a98792e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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