Hydrochloric Acid → HCID 57874494, compound

HRID 2160122Notes

Reaction equation

HRID 2160122 reaction equation
[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:47].[NH2:48][CH2:49][C:50](=[O:51])[N:52]1[CH2:53][CH2:54][CH:55]([O:58][c:59]2[cH:60][c:61]([C:65]([F:66])([F:67])[F:68])[cH:62][cH:63][cH:64]2)[CH2:56][CH2:57]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1.[cH:10]1[cH:11][c:12]([C:23](=[O:24])[OH:25])[cH:13][c:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[nH:21][c:22]12>>[cH:10]1[cH:11][c:12]([C:23](=[O:25])[NH:48][CH2:49][C:50](=[O:51])[N:52]2[CH2:53][CH2:54][CH:55]([O:58][c:59]3[cH:60][c:61]([C:65]([F:66])([F:67])[F:68])[cH:62][cH:63][cH:64]3)[CH2:56][CH2:57]2)[cH:13][c:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[nH:21][c:22]12

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 31520239H-Carbazole-3-carboxylic acidHCID 665915482-Amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

Product 1

HCID 57874494HCID 57874494, compound

Sources & evidence

ORD record
ord-eaad1c33ae1741b5979a7898adc49ded
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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