Tetrahydrofuran → HCID 66941549, compound

HRID 1561802Notes

Reaction equation

HRID 1561802 reaction equation
[B-:1]([F:2])([F:3])([F:4])[F:5].[CH2:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30])[CH3:31].[CH2:88]1[O:89][CH2:90][CH2:91][CH2:92]1.[CH3:93][CH2:94][O:95][C:96]([CH3:97])=[O:98].[N:70]1([CH:76]2[CH2:77][CH2:78][N:79]([CH2:82][C:83](=[O:84])[O:85][CH2:86][CH3:87])[CH2:80][CH2:81]2)[CH2:71][CH2:72][NH:73][CH2:74][CH2:75]1.[O:32]=[C:33]1[NH:34][c:35]2[c:36]([cH:66][cH:67][cH:68][cH:69]2)[CH2:37][CH2:38][N:39]1[CH:40]1[CH2:41][CH2:42][N:43]([C:46](=[O:47])[O:48][CH:49]([CH2:50][c:51]2[cH:52][c:53]([Cl:62])[c:54]([NH2:61])[c:55]([C:57]([F:58])([F:59])[F:60])[cH:56]2)[C:63](=[O:64])[OH:65])[CH2:44][CH2:45]1.[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:32]=[C:33]1[NH:34][c:35]2[c:36]([cH:66][cH:67][cH:68][cH:69]2)[CH2:37][CH2:38][N:39]1[CH:40]1[CH2:41][CH2:42][N:43]([C:46](=[O:47])[O:48][CH:49]([CH2:50][c:51]2[cH:52][c:53]([Cl:62])[c:54]([NH2:61])[c:55]([C:57]([F:58])([F:59])[F:60])[cH:56]2)[C:63](=[O:65])[N:73]2[CH2:72][CH2:71][N:70]([CH:76]3[CH2:77][CH2:78][N:79]([CH2:82][C:83](=[O:84])[O:85][CH2:86][CH3:87])[CH2:80][CH2:81]3)[CH2:75][CH2:74]2)[CH2:44][CH2:45]1

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 54188692HCID 54188692, 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 66941549HCID 66941549, compound

Sources & evidence

ORD record
ord-40915db95e184f3ea9eb7d078ace5e3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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