Water → (2-Amino-1,3-benzothiazol-6-yl) 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonate

HRID 109593Notes

Reaction equation

HRID 109593 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:8][c:9]1[s:10][c:11]2[c:12]([n:13]1)[cH:14][cH:15][c:16]([O:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25]([NH:28][CH2:29][C:30]([CH3:31])([CH3:32])[OH:33])[cH:26][cH:27]1)[cH:17]2)([CH3:5])([CH3:6])[CH3:7].[Cl:41][CH2:42][Cl:43].[OH2:44].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[NH2:8][c:9]1[s:10][c:11]2[c:12]([n:13]1)[cH:14][cH:15][c:16]([O:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25]([NH:28][CH2:29][C:30]([CH3:31])([CH3:32])[OH:33])[cH:26][cH:27]1)[cH:17]2

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 579808624-(2-Hydroxy-2-methylpropylamino)benzenesulfonic acid 2-tert-butoxycarbonylaminobenzothiazol-6-yl ester

Product 1

HCID 57980825(2-Amino-1,3-benzothiazol-6-yl) 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonate

Sources & evidence

ORD record
ord-147c231b5d9e412e928cd722d3265cd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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