Dimethylformamide → [3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-[2-[2-(dimethylamino)-2-oxoethoxy]carbonylpyrrolidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

HRID 1226722Notes

Reaction equation

HRID 1226722 reaction equation
[B-:1]([F:2])([F:3])([F:4])[F:5].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[O:30]=[C:31]1[NH:32][c:33]2[c:34]([cH:77][cH:78][cH:79][cH:80]2)[CH2:35][CH2:36][N:37]1[CH:38]1[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][CH:47]([C:48](=[O:49])[N:50]2[CH2:51][CH2:52][CH:53]([N:56]3[CH:57]([C:61](=[O:62])[OH:63])[CH2:58][CH2:59][CH2:60]3)[CH2:54][CH2:55]2)[CH2:64][c:65]2[cH:66][c:67]([Cl:76])[c:68]([NH2:75])[c:69]([C:71]([F:72])([F:73])[F:74])[cH:70]2)[CH2:42][CH2:43]1.[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[OH:81][CH2:82][C:83](=[O:84])[N:85]([CH3:86])[CH3:87].[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[O:30]=[C:31]1[NH:32][c:33]2[c:34]([cH:77][cH:78][cH:79][cH:80]2)[CH2:35][CH2:36][N:37]1[CH:38]1[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][CH:47]([C:48](=[O:49])[N:50]2[CH2:51][CH2:52][CH:53]([N:56]3[CH:57]([C:61](=[O:62])[O:63][CH2:82][C:83](=[O:84])[N:85]([CH3:86])[CH3:87])[CH2:58][CH2:59][CH2:60]3)[CH2:54][CH2:55]2)[CH2:64][c:65]2[cH:66][c:67]([Cl:76])[c:68]([NH2:75])[c:69]([C:71]([F:72])([F:73])[F:74])[cH:70]2)[CH2:42][CH2:43]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 128746822-Hydroxy-N,N-dimethylacetamideHCID 669415561-[1-[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]piperidin-4-yl]pyrrolidine-2-carboxylic acid

Product 1

HCID 66941465[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-[2-[2-(dimethylamino)-2-oxoethoxy]carbonylpyrrolidin-1-yl]piperidin-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-2bda8f17391e4bcbaa995171d4a3a7cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…