Hydrochloric Acid → HCID 22141240, compound

HRID 2129678Notes

Reaction equation

HRID 2129678 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].[CH3:65][OH:66].[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.[o:1]1[c:2]([C:10](=[O:11])[OH:12])[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2]([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:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 10331Benzofuran-2-carboxylic acidHCID 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 22141240HCID 22141240, compound

Sources & evidence

ORD record
ord-2f39081372fd4af59ba1099f1c16abb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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