Hydrochloric Acid → HCID 69522797, compound

HRID 156823Notes

Reaction equation

HRID 156823 reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:39]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([OH:38])[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl:41][CH2:42][c:43]1[n:44][n:45][cH:46][n:47]1[CH2:48][CH2:49][CH3:50].[ClH:40].[K+:55].[K+:56].[OH2:62]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:39]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH2:42][c:43]4[n:44][n:45][cH:46][n:47]4[CH2:48][CH2:49][CH3:50])[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 229387563-(chloromethyl)-4-propyl-4H-1,2,4-triazoleHCID 69521906HCID 69521906, compound

Product 1

HCID 69522797HCID 69522797, compound

Sources & evidence

ORD record
ord-0614b5b0461f4cc49bb41b2372b7bed8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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