Water → HCID 68355432, compound

HRID 1541907Notes

Reaction equation

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

Participants

Reactant 4

HCID 962Water

HCID 13387N-methyl-2-pyrrolidone

HCID 69020Glycinamide

HCID 58204573trifluoro-methanesulphonic acid 2-(2-isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulen-8-yl ester

Product 1

HCID 68355432HCID 68355432, compound

Sources & evidence

ORD record: ord-a4a206187dd44fe0965250f484506494
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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