Dimethylformamide → HCID 66941509, compound

HRID 1123403Notes

Reaction equation

HRID 1123403 reaction equation
[B-:59]([F:60])([F:61])([F:62])[F:63].[CH3:81][CH2:82][N:83]([CH2:84][CH3:85])[CH2:86][CH3:87].[N:1]1([CH:7]2[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH2:11][CH2:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[O:21]=[C:22]1[NH:23][c:24]2[c:25]([cH:55][cH:56][cH:57][cH:58]2)[CH2:26][CH2:27][N:28]1[CH:29]1[CH2:30][CH2:31][N:32]([C:35](=[O:36])[O:37][CH:38]([CH2:39][c:40]2[cH:41][c:42]([Cl:51])[c:43]([NH2:50])[c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]2)[C:52](=[O:53])[OH:54])[CH2:33][CH2:34]1.[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[cH:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[N:1]1([CH:7]2[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH2:11][CH2:12]2)[CH2:2][CH2:3][N:4]([C:52]([CH:38]([O:37][C:35]([N:32]2[CH2:31][CH2:30][CH:29]([N:28]3[C:22](=[O:21])[NH:23][c:24]4[c:25]([cH:55][cH:56][cH:57][cH:58]4)[CH2:26][CH2:27]3)[CH2:34][CH2:33]2)=[O:36])[CH2:39][c:40]2[cH:41][c:42]([Cl:51])[c:43]([NH2:50])[c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]2)=[O:53])[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 57807571Ethyl 4-(4-piperazin-1-yl-piperidin-1-yl)-butanoateHCID 669418853-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoic acid

Product 1

HCID 66941509HCID 66941509, compound

Sources & evidence

ORD record
ord-a81e4d135da545fa8273809f553e197c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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