Hydrochloric Acid → HCID 58203926, compound

HRID 2324219Notes

Reaction equation

HRID 2324219 reaction equation
[Br:41][c:42]1[cH:43][cH:44][c:45]2[c:46]([cH:69]1)[O:47][CH2:48][CH2:49][c:50]1[c:51]-2[s:52][c:53]([C:55](=[O:56])[N:57]([CH3:58])[c:59]2[cH:60][c:61]([C:62](=[O:63])[OH:64])[cH:65][cH:66][c:67]2[Cl:68])[cH:54]1.[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH:8]([N:9]([CH2:10][CH3:11])[CH:12]([CH3:13])[CH3:14])([CH3:15])[CH3:16].[ClH:1].[F:2][C:3]1([F:7])[CH2:4][NH:5][CH2:6]1.[OH2:75].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[F:2][C:3]1([F:7])[CH2:4][N:5]([C:62]([c:61]2[cH:60][c:59]([N:57]([C:55]([c:53]3[s:52][c:51]4[c:50]([cH:54]3)[CH2:49][CH2:48][O:47][c:46]3[c:45]-4[cH:44][cH:43][c:42]([Br:41])[cH:69]3)=[O:56])[CH3:58])[c:67]([Cl:68])[cH:66][cH:65]2)=[O:63])[CH2:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27582483,3-DifluoroazetidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 568343723-(8-bromo-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoic acid

Product 1

HCID 58203926HCID 58203926, compound

Sources & evidence

ORD record
ord-a2c18decba414b2aac430e9af0e62a4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…