Methanol → HCID 178508412, compound

HRID 100312Notes

Reaction equation

HRID 100312 reaction equation
[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:56][C:57]#[N:58].[CH3:60][OH:61].[Cl:53][CH2:54][Cl:55].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45].[NH2:1][c:2]1[s:3][cH:4][c:5]([CH2:7][C:8](=[O:9])[NH:10][c:11]2[c:12]([Br:38])[cH:13][c:14]([CH2:15][CH:16]3[N:17]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:18]([CH:21]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[OH:28])[CH2:19][CH2:20]3)[cH:36][cH:37]2)[n:6]1.[OH2:59]>>[NH2:1][c:2]1[s:3][cH:4][c:5]([CH2:7][C:8](=[O:9])[NH:10][c:11]2[c:12]([Br:38])[cH:13][c:14]([CH2:15][CH:16]3[NH:17][CH:18]([CH:21]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[OH:28])[CH2:19][CH2:20]3)[cH:36][cH:37]2)[n:6]1

Participants

8

Reactant 7

HCID 887MethanolHCID 962WaterHCID 1140TolueneHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178451605HCID 178451605, compound

Product 1

HCID 178508412HCID 178508412, compound

Sources & evidence

ORD record
ord-7604b251524f433c9a55b783b3b70c9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…