Hydrochloric Acid → HCID 22262089, compound

HRID 687616Notes

Reaction equation

HRID 687616 reaction equation
[CH2:51]([N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60])[CH3:61].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[ClH:50].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([Cl:11])[cH:8][cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([O:19][CH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:16][cH:17][cH:18]1.[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1.[c:25]1([C:36](=[O:37])[OH:38])[cH:26][cH:27][cH:28][c:29]2[c:30]1[CH:31]=[CH:32][CH2:33][CH2:34][CH2:35]2>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([Cl:11])[cH:8][cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([O:19][CH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:16][cH:17][cH:18]1)[C:36]([c:25]1[cH:26][cH:27][cH:28][c:29]2[c:30]1[CH:31]=[CH:32][CH2:33][CH2:34][CH2:35]2)=[O:37]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 22261929(1RS,2SR)-2-amino-3-[3-(neopentyloxy)phenyl]-1-(3-chlorophenyl)-1-propanolHCID 222620106,7-dihydro-5H-benzo[a]cycloheptene-1-carboxylic acid

Product 1

HCID 22262089HCID 22262089, compound

Sources & evidence

ORD record
ord-116a1779ee214fcc913b1db855c15574
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…