Hydrochloric Acid → HCID 76672185, compound

HRID 1539754Notes

Reaction equation

HRID 1539754 reaction equation
[CH2:51]([OH:52])[CH2:53][CH2:54][CH2:55][CH3:56].[CH3:37][CH:38]1[NH:39][CH2:40][CH2:41][NH:42][CH2:43]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8](-[c:18]1[c:19]3[c:20]([n:21][cH:22][cH:23]1)[n:24]([S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]1)[cH:25][cH:26]3)[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[n:10]2.[ClH:57]>>[c:2]1([N:42]2[CH2:41][CH2:40][NH:39][CH:38]([CH3:37])[CH2:43]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8](-[c:18]1[c:19]3[c:20]([n:21][cH:22][cH:23]1)[n:24]([S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]1)[cH:25][cH:26]3)[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[n:10]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 62761-PentanolHCID 8471TriethylamineHCID 660572-MethylpiperazineHCID 58046364HCID 58046364, compound

Product 1

HCID 76672185HCID 76672185, compound

Sources & evidence

ORD record
ord-f3f646d594b74ce5b3e31f6c968941ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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