Isopropanol → 2-(2-Pinanylthio)-5-(2-hydroxyhexadecylthio)-1,3,4-thiadiazole

HRID 2137435

Reaction equation

HRID 2137435 reaction equation
[CH:42]([OH:43])([CH3:44])[CH3:45].[CH:8]12[C:9]([CH3:17])([S:18][c:19]3[s:20][c:21]([SH:24])[n:22][n:23]3)[CH2:10][CH2:11][CH:12]([C:13]1([CH3:14])[CH3:15])[CH2:16]2.[O:25]1[CH2:26][CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[SH:1][c:2]1[s:3][c:4]([SH:5])[n:6][n:7]1>>[CH:8]12[C:9]([CH3:17])([S:18][c:19]3[s:20][c:21]([S:24][CH2:26][CH:27]([OH:25])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[n:22][n:23]3)[CH2:10][CH2:11][CH:12]([C:13]1([CH3:14])[CH3:15])[CH2:16]2

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 237411,2-EpoxyhexadecaneHCID 178418558HCID 178418558, compoundHCID 178435042HCID 178435042, compound

Product 1

HCID 201298502-(2-Pinanylthio)-5-(2-hydroxyhexadecylthio)-1,3,4-thiadiazole

Sources & evidence

ORD record
ord-45dec6db32094a08812b59a2417e5ed0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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