Acetic Acid → N-[(4-fluorophenyl)methyl]-7-methyl-9,12-dioxo-11-phenylmethoxy-4-(thian-4-yl)-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

HRID 205637Notes

Reaction equation

HRID 205637 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH2:31][CH:32]=[O:33])[cH:7][c:8]([C:20]([NH:21][CH2:22][c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)=[O:30])[c:9](=[O:19])[c:10]1[O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH3:46][C:47](=[O:48])[OH:49].[Cl:50][CH2:51][Cl:52].[NH2:34][CH:35]([CH2:36][CH2:37][NH:38][CH:39]1[CH2:40][CH2:41][S:42][CH2:43][CH2:44]1)[CH3:45]>>[C:3]1(=[O:4])[c:5]2[n:6]([cH:7][c:8]([C:20]([NH:21][CH2:22][c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)=[O:30])[c:9](=[O:19])[c:10]2[O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:31][CH:32]2[N:34]1[CH:35]([CH3:45])[CH2:36][CH2:37][N:38]2[CH:39]1[CH2:40][CH2:41][S:42][CH2:43][CH2:44]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6344DichloromethaneHCID 596005723-Benzyloxy-5-(4-fluoro-benzylcarbamoyl)-4-oxo-1-(2-oxo-ethyl)-1,4-dihydro-pyridine-2-carboxylic acid methyl esterHCID 771507601-N-(thian-4-yl)butane-1,3-diamine

Product 1

HCID 77150771N-[(4-fluorophenyl)methyl]-7-methyl-9,12-dioxo-11-phenylmethoxy-4-(thian-4-yl)-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

Sources & evidence

ORD record
ord-c366a79ac5f6440e9540a4711f92a19e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…