Hydrochloric Acid → HCID 44229715, compound

HRID 90980Notes

Reaction equation

HRID 90980 reaction equation
[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[Cl:1][c:2]1[n:3][c:4]([S:17][CH2:18][c:19]2[n:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[s:22][cH:23]2)[c:5]([C:15]#[N:16])[c:6](-[c:10]2[cH:11][n:12][cH:13][s:14]2)[c:7]1[C:8]#[N:9].[ClH:31].[NH:32]1[CH2:33][CH:34]([OH:36])[CH2:35]1>>[c:2]1([N:32]2[CH2:33][CH:34]([OH:36])[CH2:35]2)[n:3][c:4]([S:17][CH2:18][c:19]2[n:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[s:22][cH:23]2)[c:5]([C:15]#[N:16])[c:6](-[c:10]2[cH:11][n:12][cH:13][s:14]2)[c:7]1[C:8]#[N:9]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 15142903-HydroxyazetidineHCID 866542122-Chloro-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(1,3-thiazol-5-yl)pyridine-3,5-dicarbonitrile

Product 1

HCID 44229715HCID 44229715, compound

Sources & evidence

ORD record
ord-a469fff271624119903fa8b508d6a634
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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