HCID 57807712, compound → HCID 76616788, compound

HRID 2148899Notes

Reaction equation

HRID 2148899 reaction equation
[N:39]1([CH:52]2[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]2)[CH2:40][CH2:41][CH:42]([CH2:45][CH2:46][C:47](=[O:48])[O:49][CH2:50][CH3:51])[CH2:43][CH2:44]1.[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:35][cH:36][cH:37][cH:38]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]([Cl:31])[c:23]([NH2:30])[c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[C:32](=[O:33])[OH:34])[CH2:13][CH2:14]1>>[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:35][cH:36][cH:37][cH:38]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]([Cl:31])[c:23]([NH2:30])[c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[C:32](=[O:34])[N:55]2[CH2:54][CH2:53][CH:52]([N:39]3[CH2:40][CH2:41][CH:42]([CH2:45][CH2:46][C:47](=[O:48])[O:49][CH2:50][CH3:51])[CH2:43][CH2:44]3)[CH2:57][CH2:56]2)[CH2:13][CH2:14]1

Participants

3

Reactant 2

HCID 57807712HCID 57807712, compoundHCID 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 76616788HCID 76616788, compound

Sources & evidence

ORD record
ord-01df20abd54b4e589c0b92adfb4dbb27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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