Acetic Acid → HCID 58267925, compound

HRID 318038Notes

Reaction equation

HRID 318038 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][cH:27][c:28](-[c:31]5[o:32][c:33]([CH:36]=[O:37])[cH:34][cH:35]5)[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[CH3:38][S:39](=[O:40])(=[O:41])[CH2:42][CH2:43][NH2:44].[CH3:51][C:52](=[O:53])[OH:54].[CH3:58][OH:59].[Cl:55][CH2:56][Cl:57].[Mg+2:45].[O-:46][S:47]([O-:48])(=[O:49])=[O:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][cH:27][c:28](-[c:31]5[o:32][c:33]([CH2:36][NH:44][CH2:43][CH2:42][S:39]([CH3:38])(=[O:40])=[O:41])[cH:34][cH:35]5)[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 888Magnesium CationHCID 1117Sulfate IonHCID 6344DichloromethaneHCID 43405612-(Methylsulfonyl)ethanamineHCID 86653509HCID 86653509, compound

Product 1

HCID 58267925HCID 58267925, compound

Sources & evidence

ORD record
ord-6093e72639fe4c10a6fb3652fb993a38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…