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Pyridine → Allyl-methyl-amino-but-2-ynoic acid [4-(3-bromo-phenylamino)-quinazolin-6-yl]-amide

HRID 104940
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반응식

HRID 104940 반응식
[Br:27][c:28]1[cH:29][c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][cH:41][c:42]([NH2:45])[cH:43][c:44]23)[cH:31][cH:32][cH:33]1.[CH2:16]([CH:17]=[CH2:18])[C:19]([C:20]#[C:21][C:22](=[O:23])[OH:24])([NH2:25])[CH3:26].[CH3:9][N:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1.[Cl:1][C:2]([O:3][CH2:4][CH:5]([CH3:6])[CH3:7])=[O:8].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1>>[CH2:16]([CH:17]=[CH2:18])[C:19]([C:20]#[C:21][C:22](=[O:24])[NH:45][c:42]1[cH:41][cH:40][c:39]2[n:38][cH:37][n:36][c:35]([NH:34][c:30]3[cH:29][c:28]([Br:27])[cH:33][cH:32][cH:31]3)[c:44]2[cH:43]1)([NH2:25])[CH3:26]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1049PyridineHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 62365Isobutyl chloroformateHCID 5328042N4-(3-Bromophenyl)quinazoline-4,6-diamineHCID 21190742Allyl-methyl-amino-but-2-ynoic acid

생성물 1

HCID 86757054
Allyl-methyl-amino-but-2-ynoic acid [4-(3-bromo-phenylamino)-quinazolin-6-yl]-amide

출처 및 근거

ORD 기록
ord-5fd0966f90b5470289bf530859c8c0ba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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