Dimethyl Sulfoxide → 1,2,3,4-tetrahydro-8-methyl-[1]benzothieno[2,3-b][1,5]benzothiazepin-12(11H)-one

HRID 207739

반응식

HRID 207739 반응식
[Br:1][c:2]1[c:3]([C:11](=[O:12])[NH:13][c:14]2[c:15]([SH:21])[cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[c:4]2[c:5]([s:6]1)[CH2:7][CH2:8][CH2:9][CH2:10]2.[C:22](=[O:23])([O-:24])[O-:25].[CH3:28][S:29](=[O:30])[CH3:31].[K+:26].[K+:27]>>[c:2]12[c:3]([c:4]3[c:5]([s:6]1)[CH2:7][CH2:8][CH2:9][CH2:10]3)[C:11](=[O:12])[NH:13][c:14]1[c:15]([cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[S:21]2

참가 물질

5

반응물 4

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 184223052-bromo-4,5,6,7-tetrahydro-N-(2-mercapto-4-methylphenyl)-benzo[b]thiophene-3-carboxamide

생성물 1

HCID 184222031,2,3,4-tetrahydro-8-methyl-[1]benzothieno[2,3-b][1,5]benzothiazepin-12(11H)-one

출처 및 근거

ORD 기록
ord-274f78fa32b74405a7c13638c3dc5282
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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