Hydrochloric Acid → 4-(5-Hexyl-2-pyrimidinyl)phenyl 5-dodecylthiophene-2-carboxylate
Reaction equation
[CH2:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[c:38]1[cH:39][cH:40][c:41]([C:43](=[O:44])[Cl:45])[s:42]1.[CH2:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[c:13]1[cH:14][n:15][c:16](-[c:19]2[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]2)[n:17][cH:18]1.[ClH:46].[OH2:47].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[CH2:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[c:13]1[cH:14][n:15][c:16](-[c:19]2[cH:20][cH:21][c:22]([O:25][C:43]([c:41]3[cH:40][cH:39][c:38]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[s:42]3)=[O:44])[cH:23][cH:24]2)[n:17][cH:18]1Participants
6
Sources & evidence
- ORD record
- ord-3e7cade1c19540fa894cf2fd174589cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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