Hydrochloric Acid → 2-[6-chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-[2-(1-trityl-1H-imidazol-4-yl)-benzyl]-acetamide

HRID 114911Notes

Reaction equation

HRID 114911 reaction equation
[C:24]([OH:25])(=[O:26])[C:27]([OH:28])=[O:29].[C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[n:49]1[cH:50][n:51][c:52](-[c:54]2[c:55]([CH2:56][NH2:57])[cH:58][cH:59][cH:60][cH:61]2)[cH:53]1.[CH3:63][N:64]([CH3:65])[CH2:66][CH2:67][CH2:68][N:69]=[C:70]=[N:71][CH2:72][CH3:73].[CH3:93][N:94]([CH3:95])[CH:96]=[O:97].[CH:84]([N:85]([CH:86]([CH3:87])[CH3:88])[CH2:89][CH3:90])([CH3:91])[CH3:92].[Cl:1][c:2]1[cH:3][n:4][c:5]([NH:13][CH2:14][C:15]([c:16]2[n:17][cH:18][cH:19][cH:20][cH:21]2)([F:22])[F:23])[c:6](=[O:12])[n:7]1[CH2:8][C:9](=[O:10])[OH:11].[ClH:62].[OH2:98].[OH:74][n:75]1[c:76]2[n:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[Cl:1][c:2]1[cH:3][n:4][c:5]([NH:13][CH2:14][C:15]([c:16]2[n:17][cH:18][cH:19][cH:20][cH:21]2)([F:22])[F:23])[c:6](=[O:12])[n:7]1[CH2:8][C:9](=[O:11])[NH:57][CH2:56][c:55]1[c:54](-[c:52]2[n:51][cH:50][n:49]([C:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:53]2)[cH:61][cH:60][cH:59][cH:58]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 971Oxalic AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 10936874[6-Chloro-3-(2.2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin 1-yl]-acetic AcidHCID 113274852-(1-trityl-1H-imidazol-4-yl)-benzylamine

Product 1

HCID 221851502-[6-chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-[2-(1-trityl-1H-imidazol-4-yl)-benzyl]-acetamide

Sources & evidence

ORD record
ord-e1c84156e5de4e0da157a3f31108a840
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…