Toluene → HCID 178500556, compound

HRID 1549749Notes

Reaction equation

HRID 1549749 reaction equation
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[CH2:8][CH:9]([c:13]1[c:14]([Br:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1)[NH:10][C:11]2=[S:12].[O:22]=[C:23]1[N:24]([O:33][CH2:34][CH2:35][CH:36]([C:37](=[O:38])[O:39][CH3:40])[O:41][CH3:42])[C:31](=[O:32])[c:26]2[c:25]1[cH:30][cH:29][cH:28][cH:27]2>>[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[CH2:8][CH:9]([c:13]1[c:14]([Br:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1)[NH:10][C:11]2=[N:24][O:33][CH2:34][CH2:35][CH:36]([C:37](=[O:38])[O:39][CH3:40])[O:41][CH3:42]

Participants

4

Reactant 3

HCID 1140TolueneHCID 67065360Methyl 4-(1,3-dioxoisoindol-2-yl)oxy-2-methoxybutanoateHCID 751038762-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidine-5-thione

Product 1

HCID 178500556HCID 178500556, compound

Sources & evidence

ORD record
ord-6484903d33644ac3b699bdf73eb271ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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