Dichloromethane → N-[[4-[5-(3-acetamidophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

HRID 108187Notes

Reaction equation

HRID 108187 reaction equation
[CH2:29]([NH:30][C:31](=[O:32])[O:33][c:34]1[c:35]([CH3:36])[c:37]2[n:38]([cH:39]1)[n:40][cH:41][n:42][c:43]2[O:44][c:45]1[cH:46][cH:47][c:48]([NH:49][C:51](=[O:52])[NH:53][C:54]([CH2:55][c:56]2[cH:57][cH:58][c:59]([F:62])[cH:60][cH:61]2)=[O:63])[cH:50][c:64]1[F:65])[CH3:66].[Cl:67][CH2:68][Cl:69].[NH2:1][c:2]1[cH:3][c:4]([F:28])[c:5]([O:6][c:7]2[n:8][cH:9][n:10][n:11]3[c:12]2[c:13](-[c:16]2[cH:17][c:18]([NH:22][C:23]([CH3:24])=[O:25])[cH:19][cH:20][cH:21]2)[cH:14][cH:15]3)[cH:26][cH:27]1>>[NH:1]([c:2]1[cH:3][c:4]([F:28])[c:5]([O:6][c:7]2[n:8][cH:9][n:10][n:11]3[c:12]2[c:13](-[c:16]2[cH:17][c:18]([NH:22][C:23]([CH3:24])=[O:25])[cH:19][cH:20][cH:21]2)[cH:14][cH:15]3)[cH:26][cH:27]1)[C:51](=[O:52])[NH:53][C:54]([CH2:55][c:56]1[cH:57][cH:58][c:59]([F:62])[cH:60][cH:61]1)=[O:63]

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 114973464-(2-Fluoro-4-(3-(2-(4-fluorophenyl)acetyl)ureido)phenoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl ethylcarbamateHCID 21081735N-(3-(4-(4-Amino-2-fluorophenoxy)pyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl)acetamide

Product 1

HCID 11613752N-[[4-[5-(3-acetamidophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

Sources & evidence

ORD record
ord-f870ffe923c74c35a28b98f8f048d22f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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