Hydrochloric Acid → HCID 11331585, compound

HRID 194309Notes

Reaction equation

HRID 194309 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:34]2)[CH:20]=[C:21]([C:31](=[O:32])[OH:33])[CH2:22][CH2:23][N:24]3[C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[cH:13][cH:14]1.[CH2:66]([N:67]=[C:68]=[N:69][CH2:70][CH2:71][CH2:72][N:73]([CH3:74])[CH3:75])[CH3:76].[CH3:77][N:78]([c:79]1[cH:80][cH:81][n:82][cH:83][cH:84]1)[CH3:85].[ClH:65].[NH2:35][c:36]1[cH:37][c:38]([C:50]([F:51])([F:52])[F:53])[c:39]([CH:42]([OH:43])[c:44]2[n:45][cH:46][cH:47][cH:48][cH:49]2)[cH:40][cH:41]1.[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[OH2:54].[OH2:86].[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:34]2)[CH:20]=[C:21]([C:31](=[O:32])[NH:35][c:36]2[cH:37][c:38]([C:50]([F:51])([F:52])[F:53])[c:39]([CH:42]([OH:43])[c:44]4[n:45][cH:46][cH:47][cH:48][cH:49]4)[cH:40][cH:41]2)[CH2:22][CH2:23][N:24]3[C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 113290287-[4-(2-Butoxyethoxy)phenyl]-1-(trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxylic acidHCID 11391512HCID 11391512, compound

Product 1

HCID 11331585HCID 11331585, compound

Sources & evidence

ORD record
ord-562f1b67d5db416b8e77aac66efec321
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…