Hydrochloric Acid → HCID 178504697, compound

HRID 1147807Notes

Reaction equation

HRID 1147807 reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:45][CH:46]([OH:47])[CH3:48].[Cl:25][CH2:26][c:27]1[n:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[cH:35][cH:36]1.[ClH:24].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([SH:23])[nH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1.[OH2:44]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([S:23][CH2:26][c:27]3[n:28][c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]4[cH:35][cH:36]3)[nH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 3776IsopropanolHCID 8471TriethylamineHCID 203942-(Chloromethyl)quinolineHCID 178504698HCID 178504698, compound

Product 1

HCID 178504697HCID 178504697, compound

Sources & evidence

ORD record
ord-f61752302f9e49878baf06fe9de8a7bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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