Ammonia → N-(7-Aminomethyl-1-methyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda6-benzo[c][1,2]thiazin-4-yl)-3-(naphthalen-2-yl-sulfonylamino)-3-phenyl-propionamide

HRID 2343412Notes

Reaction equation

HRID 2343412 reaction equation
[CH3:41][S:42]([OH:43])(=[O:44])=[O:45].[NH3:46].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:40]1)[N:8]([CH3:39])[S:9](=[O:37])(=[O:38])[CH2:10][CH:11]2[NH:12][C:13]([CH2:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35]1)=[O:36]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:40]1)[N:8]([CH3:39])[S:9](=[O:37])(=[O:38])[CH2:10][CH:11]2[NH:12][C:13]([CH2:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35]1)=[O:36])[NH2:46]

Participants

4

Reactant 3

HCID 222AmmoniaHCID 6395Methanesulfonic AcidHCID 68926983HCID 68926983, compound

Product 1

HCID 68925944N-(7-Aminomethyl-1-methyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda6-benzo[c][1,2]thiazin-4-yl)-3-(naphthalen-2-yl-sulfonylamino)-3-phenyl-propionamide

Sources & evidence

ORD record
ord-d6380ab88ed74be5afec72df4bdf762e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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