Dichloromethane → [6-(3-Amino-prop-1-ynyl)-quinazolin-4-yl]-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine

HRID 1231847Notes

Reaction equation

HRID 1231847 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][C:9]#[C:10][c:11]1[cH:12][c:13]2[c:14]([NH:21][c:22]3[cH:23][c:24]4[cH:25][n:26][n:27]([CH2:31][c:32]5[cH:33][c:34]([F:38])[cH:35][cH:36][cH:37]5)[c:28]4[cH:29][cH:30]3)[n:15][cH:16][n:17][c:18]2[cH:19][cH:20]1)([CH3:5])([CH3:6])[CH3:39].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[NH2:7][CH2:8][C:9]#[C:10][c:11]1[cH:12][c:13]2[c:14]([NH:21][c:22]3[cH:23][c:24]4[cH:25][n:26][n:27]([CH2:31][c:32]5[cH:33][c:34]([F:38])[cH:35][cH:36][cH:37]5)[c:28]4[cH:29][cH:30]3)[n:15][cH:16][n:17][c:18]2[cH:19][cH:20]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 66623769(3-{4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-quinazolin-6-yl}-prop-2-ynyl)-carbamic acid tert-butyl ester

Product 1

HCID 66623580[6-(3-Amino-prop-1-ynyl)-quinazolin-4-yl]-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine

Sources & evidence

ORD record
ord-a32d69101b5f49cfa171177403200529
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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