Water → C18H14ClFN4O4

HRID 1127779Notes

Reaction equation

HRID 1127779 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:44][C:45]([OH:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([S:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)(=[O:30])=[O:31])[c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]23)[cH:5][cH:6][c:7]1[F:8].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:43].[OH:32][CH:33]1[CH2:34][O:35][CH2:36][CH2:37]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:32][CH:33]4[CH2:34][O:35][CH2:36][CH2:37]4)[c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]23)[cH:5][cH:6][c:7]1[F:8]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 99603-Furanol, tetrahydro-HCID 24742986(7-Phenylsulfonyl-6-nitro-chinazolin-4-yl)-(3-chlor-4-fluor-phenyl)-amin

Product 1

HCID 22225689C18H14ClFN4O4

Sources & evidence

ORD record
ord-17c886f3be134542b6e2e4f7ecc0c2db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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