Hydrochloric Acid → HCID 57129641, compound

HRID 1132409Notes

Reaction equation

HRID 1132409 reaction equation
[C:54](=[O:55])([O-:56])[OH:57].[CH3:1][c:2]1[c:3]([CH:7]=[CH:8][C:9](=[O:10])[OH:11])[s:4][cH:5][cH:6]1.[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:36][C:37]1([c:43]2[cH:44][c:45]([NH:49][S:50](=[O:51])(=[O:52])[CH3:53])[cH:46][cH:47][cH:48]2)[CH:38]2[CH2:39][NH:40][CH2:41][CH:42]12.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:23].[ClH:35].[Na+:58].[OH2:12].[OH:13][n:14]1[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[CH3:1][c:2]1[c:3]([CH:7]=[CH:8][C:9](=[O:11])[N:40]2[CH2:39][CH:38]3[C:37]([CH3:36])([c:43]4[cH:44][c:45]([NH:49][S:50](=[O:51])(=[O:52])[CH3:53])[cH:46][cH:47][cH:48]4)[CH:42]3[CH2:41]2)[s:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 156896HCID 156896, compoundHCID 22141143N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl)methanesulfonamide

Product 1

HCID 57129641HCID 57129641, compound

Sources & evidence

ORD record
ord-882cb6a1f09141348942f9c41e278e8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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