Hydrochloric Acid → HCID 57761903, compound
Reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8](-[c:12]2[n:13][c:14]([N:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([c:24]4[n:25][cH:26][cH:27][cH:28][c:29]4[C:30]([F:31])([F:32])[F:33])[CH2:22][CH2:23]3)[cH:17]2)[cH:9][cH:10][cH:11]1)=[O:40].[CH3:51][CH2:52][OH:53].[ClH:45].[Li+:43].[OH-:42].[OH2:41].[OH2:44]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8](-[c:12]2[n:13][c:14]([N:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([c:24]4[n:25][cH:26][cH:27][cH:28][c:29]4[C:30]([F:31])([F:32])[F:33])[CH2:22][CH2:23]3)[cH:17]2)[cH:9][cH:10][cH:11]1)[OH:40]Participants
8
Sources & evidence
- ORD record
- ord-47125e13acf64f5aaf90bc73f5df103f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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