Hydrochloric Acid → HCID 25166707, compound

HRID 2146268Notes

Reaction equation

HRID 2146268 reaction equation
[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:10].[NH2:11][CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([C:21]([c:22]2[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]2)=[O:32])[CH2:19][CH2:20]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[s:54]1[cH:55][n:56][cH:57][c:58]1-[c:59]1[cH:60][cH:61][c:62]([C:63](=[O:64])[OH:65])[cH:66][cH:67]1>>[NH:11]([CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([C:21]([c:22]2[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]2)=[O:32])[CH2:19][CH2:20]1)[C:63]([c:62]1[cH:61][cH:60][c:59](-[c:58]2[s:54][cH:55][n:56][cH:57]2)[cH:67][cH:66]1)=[O:64]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanoneHCID 669531424-(5-Thiazolyl)benzoic acid

Product 1

HCID 25166707HCID 25166707, compound

Sources & evidence

ORD record
ord-404a9bfcdf7c4852ab5d2f84a3074704
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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