Hydrochloric Acid → HCID 22141231, compound

HRID 1224586Notes

Reaction equation

HRID 1224586 reaction equation
[C:55](=[O:56])([O-:57])[OH:58].[CH3:25][N:26]([CH3:27])[CH2:28][CH2:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH3:35].[CH3:37][C:38]1([c:44]2[cH:45][c:46]([NH:50][S:51](=[O:52])(=[O:53])[CH3:54])[cH:47][cH:48][cH:49]2)[CH:39]2[CH2:40][NH:41][CH2:42][CH:43]12.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[ClH:24].[ClH:36].[Na+:59].[OH2:13].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1.[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:12])[N:41]2[CH2:40][CH:39]3[C:38]([CH3:37])([c:44]4[cH:45][c:46]([NH:50][S:51](=[O:52])(=[O:53])[CH3:54])[cH:47][cH:48][cH:49]4)[CH:43]3[CH2:42]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 47754-Phenylbutyric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 22141143N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl)methanesulfonamide

Product 1

HCID 22141231HCID 22141231, compound

Sources & evidence

ORD record
ord-bb0751c02d32493faa7ab0162318b08d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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