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Hydrochloric Acid → 13-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]-5-[4-[methyl(propan-2-yl)amino]but-2-enoyl]-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-12-carbonitrile

HRID 662163
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HRID 662163 반응식
[CH3:35][N:36]([CH2:37][CH:38]=[CH:39][C:40](=[O:41])[OH:42])[CH:43]([CH3:44])[CH3:45].[ClH:34].[F:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([NH:15][c:16]4[c:17]5[c:18]([n:19][cH:20][c:21]4[C:22]#[N:23])[s:24][c:25]4[c:30]5[CH2:29][CH2:28][NH:27][CH2:26]4)[cH:12][cH:13][c:14]23)[cH:31][cH:32][cH:33]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([NH:15][c:16]4[c:17]5[c:18]([n:19][cH:20][c:21]4[C:22]#[N:23])[s:24][c:25]4[c:30]5[CH2:29][CH2:28][N:27]([C:40]([CH:39]=[CH:38][CH2:37][N:36]([CH3:35])[CH:43]([CH3:44])[CH3:45])=[O:41])[CH2:26]4)[cH:12][cH:13][c:14]23)[cH:31][cH:32][cH:33]1
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반응물 3

HCID 313Hydrochloric AcidHCID 5811690413-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-12-carbonitrileHCID 789891274-[Methyl(propan-2-yl)amino]but-2-enoic acid

생성물 1

HCID 6684990113-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]-5-[4-[methyl(propan-2-yl)amino]but-2-enoyl]-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-12-carbonitrile

출처 및 근거

ORD 기록
ord-346bcf3a9841401ebec3bc6c756e1790
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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