Hydrochloric Acid → 1-[3-(3-Ethynylanilino)-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-[methyl(propan-2-yl)amino]but-2-en-1-one

HRID 1131006노트

반응식

HRID 1131006 반응식
[C:1](#[CH:2])[c:3]1[cH:4][c:5]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[o:16][c:17]2[c:18]3[CH2:19][CH2:20][NH:21][CH2:22]2)[cH:6][cH:7][cH:8]1.[CH3:24][N:25]([CH2:26][CH:27]=[CH:28][C:29](=[O:30])[OH:31])[CH:32]([CH3:33])[CH3:34].[ClH:23]>>[C:1](#[CH:2])[c:3]1[cH:4][c:5]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[o:16][c:17]2[c:18]3[CH2:19][CH2:20][N:21]([C:29]([CH:28]=[CH:27][CH2:26][N:25]([CH3:24])[CH:32]([CH3:33])[CH3:34])=[O:30])[CH2:22]2)[cH:6][cH:7][cH:8]1

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 58116895N-(3-Ethynylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]furo[2,3-d]pyrimidin-4-amineHCID 789891274-[Methyl(propan-2-yl)amino]but-2-enoic acid

생성물 1

HCID 1239010061-[3-(3-Ethynylanilino)-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-[methyl(propan-2-yl)amino]but-2-en-1-one

출처 및 근거

ORD 기록
ord-30bc194133fc4a62ab1cad97b482ab01
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

반응 노트

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