Hydrochloric Acid → HCID 57874503, compound

HRID 2332919Notes

Reaction equation

HRID 2332919 reaction equation
[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][c:31]1[NH2:32].[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH3:81][OH:82].[CH3:83][CH2:84][CH2:85][CH2:86][CH2:87][CH3:88].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:54].[NH2:55][CH2:56][C:57](=[O:58])[N:59]1[CH2:60][CH2:61][CH:62]([O:65][c:66]2[cH:67][c:68]([C:72]([F:73])([F:74])[F:75])[cH:69][cH:70][cH:71]2)[CH2:63][CH2:64]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:89].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[c:10]1([CH3:24])[c:11](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]2)[cH:12][cH:13][cH:14][cH:15]1>>[c:10]1([CH3:24])[c:11](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:23])[NH:55][CH2:56][C:57](=[O:58])[N:59]3[CH2:60][CH2:61][CH:62]([O:65][c:66]4[cH:67][c:68]([C:72]([F:73])([F:74])[F:75])[cH:69][cH:70][cH:71]4)[CH2:63][CH2:64]3)[cH:20]2)[cH:12][cH:13][cH:14][cH:15]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 7242O-ToluidineHCID 8058HexaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 433634871-(2-Methylphenyl)-1H-1,2,3-triazole-4-carboxylic acidHCID 665915482-Amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

Product 1

HCID 57874503HCID 57874503, compound

Sources & evidence

ORD record
ord-eebedc1879884c778b19765cfec00a92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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