Methanol → HCID 178467359, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[n:5]([CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[c:34](-[c:39]4[n:40][n:41][n:42][nH:43]4)[cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[c:6]2[c:7]([n:8]1)[cH:9][cH:10][cH:11][c:12]2[C:13](=[O:14])[NH:15][CH:16]([CH2:17][S:18][C:19](=[O:20])[CH3:21])[CH2:22][CH:23]([CH3:24])[CH3:25].[CH3:44][OH:45].[Na+:47].[OH-:46]>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5]([CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[c:34](-[c:39]4[n:40][n:41][n:42][nH:43]4)[cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[c:6]2[c:7]([n:8]1)[cH:9][cH:10][cH:11][c:12]2[C:13](=[O:14])[NH:15][CH:16]([CH2:17][SH:18])[CH2:22][CH:23]([CH3:24])[CH3:25]Participants
5
Sources & evidence
- ORD record
- ord-6f12adcf978d4d4fbe0e956f3ddc6cbc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…