Hydrochloric Acid → 13-(3-Chloro-4-fluoroanilino)-5-[4-(dimethylamino)but-2-enoyl]-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-12-carbonitrile

HRID 89513

반응식

HRID 89513 반응식
[CH3:26][N:27]([CH2:28][CH:29]=[CH:30][C:31](=[O:32])[OH:33])[CH3:34].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][c:15]2[C:16]#[N:17])[s:18][c:19]2[c:24]3[CH2:23][CH2:22][NH:21][CH2:20]2)[cH:5][cH:6][c:7]1[F:8].[ClH:25]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][c:15]2[C:16]#[N:17])[s:18][c:19]2[c:24]3[CH2:23][CH2:22][N:21]([C:31]([CH:30]=[CH:29][CH2:28][N:27]([CH3:26])[CH3:34])=[O:32])[CH2:20]2)[cH:5][cH:6][c:7]1[F:8]

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 533952454-(Dimethylamino)but-2-enoic acidHCID 581169284-[(3-Chloro-4-fluorophenyl)amino]-5,6,7,8-tetrahydrothieno[2,3-b:5,4-c']dipyridine-3-carbonitrile

생성물 1

HCID 6685059413-(3-Chloro-4-fluoroanilino)-5-[4-(dimethylamino)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-aa38a5cb45324f3c8dce3603e41d8545
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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