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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetic Acid → methyl 14-cyclohexyl-6-[(1-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocine-11-carboxylate

HRID 1122362
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HRID 1122362 반응식
[C:42]([BH3-:43])#[N:44].[CH3:30][n:31]1[n:32][cH:33][c:34]([CH:36]=[O:37])[cH:35]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:46][OH:47].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:26](=[O:27])[O:28][CH3:29])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:22][cH:23][cH:24][cH:25]2)[CH2:18][NH:19][CH2:20][CH2:21]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:45]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:26](=[O:27])[O:28][CH3:29])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:22][cH:23][cH:24][cH:25]2)[CH2:18][N:19]([CH2:36][c:34]2[cH:33][n:32][n:31]([CH3:30])[cH:35]2)[CH2:20][CH2:21]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
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참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 498716Cyano-borohydrideHCID 5731171-Methyl-1H-pyrazole-4-carbaldehydeHCID 68505807Methyl 14-cyclohexyl-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocine-11-carboxylate

생성물 1

HCID 68506634
methyl 14-cyclohexyl-6-[(1-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocine-11-carboxylate

출처 및 근거

ORD 기록
ord-b1d96cd164f94248aabb487ff5800767
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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