Ammonium → HCID 66777182, compound

HRID 1205613Notes

Reaction equation

HRID 1205613 reaction equation
[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:28][NH:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[CH:1]1([CH:7]([c:8]2[c:9]([CH3:17])[c:10]3[c:11]([n:12][cH:13][cH:14][cH:15]3)[s:16]2)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:60].[ClH:48].[NH4+:61].[OH2:37].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH:1]1([CH:7]([c:8]2[c:9]([CH3:17])[c:10]3[c:11]([n:12][cH:13][cH:14][cH:15]3)[s:16]2)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:23](=[O:25])[N:29]([CH3:28])[CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 541480Ethyl 3-(methylamino)propanoateHCID 867618314-{[Cyclohexyl(3-methylthieno[2,3-b]pyridin-2-yl)methyl]amino}benzoic acid

Product 1

HCID 66777182HCID 66777182, compound

Sources & evidence

ORD record
ord-cb75a1f965934d28b448ac79fefd9cbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…