Dimethylformamide → [3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-[1-[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl]piperidin-4-yl]piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

HRID 1540614Notes

Reaction equation

HRID 1540614 reaction equation
[B-:62]([F:63])([F:64])([F:65])[F:66].[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][OH:8].[CH3:84][CH2:85][N:86]([CH2:87][CH3:88])[CH2:89][CH3:90].[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[O:9]=[C:10]1[NH:11][c:12]2[c:13]([cH:58][cH:59][cH:60][cH:61]2)[CH2:14][CH2:15][N:16]1[CH:17]1[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][CH:26]([C:27](=[O:28])[N:29]2[CH2:30][CH2:31][N:32]([CH:35]3[CH2:36][CH2:37][N:38]([CH2:41][C:42](=[O:43])[OH:44])[CH2:39][CH2:40]3)[CH2:33][CH2:34]2)[CH2:45][c:46]2[cH:47][c:48]([Cl:57])[c:49]([NH2:56])[c:50]([C:52]([F:53])([F:54])[F:55])[cH:51]2)[CH2:21][CH2:22]1.[n:67]1([O:68][C:69]([N:70]([CH3:71])[CH3:72])=[N+:73]([CH3:74])[CH3:75])[c:76]2[cH:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][O:44][C:42]([CH2:41][N:38]1[CH2:37][CH2:36][CH:35]([N:32]2[CH2:31][CH2:30][N:29]([C:27]([CH:26]([O:25][C:23]([N:20]3[CH2:19][CH2:18][CH:17]([N:16]4[C:10](=[O:9])[NH:11][c:12]5[c:13]([cH:58][cH:59][cH:60][cH:61]5)[CH2:14][CH2:15]4)[CH2:22][CH2:21]3)=[O:24])[CH2:45][c:46]3[cH:47][c:48]([Cl:57])[c:49]([NH2:56])[c:50]([C:52]([F:53])([F:54])[F:55])[cH:51]3)=[O:28])[CH2:34][CH2:33]2)[CH2:40][CH2:39]1)=[O:43]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8134Diethylene Glycol Monomethyl EtherHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 669414462-[4-[4-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperazin-1-yl]piperidin-1-yl]acetic acid

Product 1

HCID 66941959[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-[1-[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl]piperidin-4-yl]piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-aad4d29e22ca4eaf91879919bb274358
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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