Hydrochloric Acid → HCID 67339257, compound

HRID 165905Notes

Reaction equation

HRID 165905 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][C:37]([C:40](=[O:41])[OH:42])([c:43]2[cH:44][cH:45][c:46]([Cl:49])[cH:47][cH:48]2)[CH2:38][CH2:39]1.[CH3:12][CH:13]1[CH2:14][CH2:15][c:16]2[n:17][cH:18][n:19][c:20]([N:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[c:21]21.[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:74][CH2:75][Cl:76].[ClH:10].[ClH:11].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH3:12][CH:13]1[CH2:14][CH2:15][c:16]2[n:17][cH:18][n:19][c:20]([N:22]3[CH2:23][CH2:24][N:25]([C:40]([C:37]4([c:43]5[cH:44][cH:45][c:46]([Cl:49])[cH:47][cH:48]5)[CH2:36][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:39][CH2:38]4)=[O:41])[CH2:26][CH2:27]3)[c:21]21

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 666180331-(Tert-butoxycarbonyl)-3-(4-chlorophenyl)pyrrolidine-3-carboxylic acidHCID 67339145HCID 67339145, compound

Product 1

HCID 67339257HCID 67339257, compound

Sources & evidence

ORD record
ord-55f02958a6cc48439c6c93da8923ff7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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