Hydrochloric Acid → 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid

HRID 1213047Notes

Reaction equation

HRID 1213047 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][OH:47].[ClH:39].[Li+:38].[O:1]=[S:2]1(=[O:36])[N:3]=[C:4]([NH:11][CH:12]([C:13](=[O:14])[O:15][CH3:16])[CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][c:26]3[cH:27][c:28]4[c:29]([cH:34][cH:35]3)[O:30][CH2:31][CH2:32][O:33]4)[cH:22][cH:23]2)[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[OH-:37].[OH2:40].[OH2:48]>>[O:1]=[S:2]1(=[O:36])[N:3]=[C:4]([NH:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][c:26]3[cH:27][c:28]4[c:29]([cH:34][cH:35]3)[O:30][CH2:31][CH2:32][O:33]4)[cH:22][cH:23]2)[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 178499964HCID 178499964, compound

Product 1

HCID 1785253243-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid

Sources & evidence

ORD record
ord-98768a9014754805b6981936b9c18b3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…