Hydrochloric Acid → HCID 57254716, compound
Reaction equation
[CH3:50][C:51]#[N:52].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[ClH:31].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]([CH3:14])[O:15][CH:16]2[CH:17]([c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH:18]([NH2:21])[CH2:19][CH2:20]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30].[OH2:49].[cH:32]1[c:33]([CH2:38][Cl:39])[cH:34][cH:35][cH:36][n:37]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]([CH3:14])[O:15][CH:16]2[CH:17]([c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH:18]([NH:21][CH2:38][c:33]3[cH:32][n:37][cH:36][cH:35][cH:34]3)[CH2:19][CH2:20]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30]Participants
7
Sources & evidence
- ORD record
- ord-bffb2d358e8748ea8b4c9d781df614a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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