Potassium Cation → HCID 178507822, compound

HRID 1116444Notes

Reaction equation

HRID 1116444 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].[K+:92].[K+:93].[NH2:54][c:55]1[c:56]([Cl:91])[cH:57][c:58]([CH2:59][CH:60]([C:61](=[O:62])[OH:63])[CH2:64][C:65]([N:66]2[CH2:67][CH2:68][CH:69]([N:72]3[C:73](=[O:83])[NH:74][c:75]4[c:76]([cH:79][cH:80][cH:81][cH:82]4)[CH2:77][CH2:78]3)[CH2:70][CH2:71]2)=[O:84])[cH:85][c:86]1[C:87]([F:88])([F:89])[F:90].[NH:32]1[CH2:33][CH2:34][CH:35]([N:38]2[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][CH2:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[CH2:42][CH2:43]2)[CH2:36][CH2:37]1.[O-:94][C:95]([O-:96])=[O:97].[O:98]=[CH:99][N:100]([CH3:101])[CH3:102].[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>>[N:32]1([C:61]([CH:60]([CH2:59][c:58]2[cH:57][c:56]([Cl:91])[c:55]([NH2:54])[c:86]([C:87]([F:88])([F:89])[F:90])[cH:85]2)[CH2:64][C:65]([N:66]2[CH2:67][CH2:68][CH:69]([N:72]3[C:73](=[O:83])[NH:74][c:75]4[c:76]([cH:79][cH:80][cH:81][cH:82]4)[CH2:77][CH2:78]3)[CH2:70][CH2:71]2)=[O:84])=[O:62])[CH2:33][CH2:34][CH:35]([N:38]2[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][CH2:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[CH2:42][CH2:43]2)[CH2:36][CH2:37]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 221846012-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-4-oxo-4-[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-yl]-butyric AcidHCID 57470863Benzyl 4-(piperidin-4-yl)piperazine-1-carboxylate

Product 1

HCID 178507822HCID 178507822, compound

Sources & evidence

ORD record
ord-d3c41ed0977b438495edc840f6fc9102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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