Toluene → 5-chloro-N-[({4-[6-(cyclopropylamino)-7-fluoro-1-oxoisoquinolin-2(1H)-yl]phenyl}amino)carbonyl]thiophene-2-sulfonamide

HRID 682827Notes

Reaction equation

HRID 682827 reaction equation
[CH2:24]([O:26][C:27](=[O:25])[NH:28][S:29](=[O:30])(=[O:31])[c:32]1[s:33][c:34]([Cl:37])[cH:35][cH:36]1)[CH3:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[NH2:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](=[O:23])[c:10]3[cH:11][c:12]([F:22])[c:13]([NH:18][CH:19]4[CH2:20][CH2:21]4)[cH:14][c:15]3[cH:16][cH:17]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](=[O:23])[c:10]3[cH:11][c:12]([F:22])[c:13]([NH:18][CH:19]4[CH2:20][CH2:21]4)[cH:14][c:15]3[cH:16][cH:17]2)[cH:6][cH:7]1)[C:27](=[O:26])[NH:28][S:29](=[O:30])(=[O:31])[c:32]1[s:33][c:34]([Cl:37])[cH:35][cH:36]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 24778122Ethyl ((5-chlorothiophen-2-yl)sulfonyl)carbamateHCID 589984302-(4-Amino-phenyl)-6-cyclopropylamino-7-fluoro-2H-isoquinolin-1-one

Product 1

HCID 589984495-chloro-N-[({4-[6-(cyclopropylamino)-7-fluoro-1-oxoisoquinolin-2(1H)-yl]phenyl}amino)carbonyl]thiophene-2-sulfonamide

Sources & evidence

ORD record
ord-142c72a52f6745de998b3fed566609da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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