Tetrahydrofuran → N-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide

HRID 1120045Notes

Reaction equation

HRID 1120045 reaction equation
[B-:58]([F:59])([F:60])([F:61])[F:62].[CH2:80]1[O:81][CH2:82][CH2:83][CH2:84]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[N:46]1([CH:52]2[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[NH2:8][c:9]1[c:10]([Cl:45])[cH:11][c:12]([CH2:19][CH:20]([C:21](=[O:22])[OH:23])[NH:24][C:25](=[O:26])[N:27]2[CH2:28][CH2:29][CH:30]([N:33]3[C:34](=[O:44])[NH:35][c:36]4[c:37]([cH:40][cH:41][cH:42][cH:43]4)[CH2:38][CH2:39]3)[CH2:31][CH2:32]2)[cH:13][c:14]1[C:15]([F:16])([F:17])[F:18].[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[NH2:8][c:9]1[c:10]([Cl:45])[cH:11][c:12]([CH2:19][CH:20]([C:21](=[O:22])[N:55]2[CH2:54][CH2:53][CH:52]([N:46]3[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]3)[CH2:57][CH2:56]2)[NH:24][C:25](=[O:26])[N:27]2[CH2:28][CH2:29][CH:30]([N:33]3[C:34](=[O:44])[NH:35][c:36]4[c:37]([cH:40][cH:41][cH:42][cH:43]4)[CH2:38][CH2:39]3)[CH2:31][CH2:32]2)[cH:13][c:14]1[C:15]([F:16])([F:17])[F:18]

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 786071,4'-BipiperidineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 221846053-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-{[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-carbonyl]-amino}-propionic Acid

Product 1

HCID 10372583N-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide

Sources & evidence

ORD record
ord-0c3544ef388b42f3bac4b7a268433148
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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