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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Toluene → tert-butyl 3-({1-[2-(benzyloxy)-2-oxoethyl]-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}methyl)-1H-indazole-1-carboxylate

HRID 167080
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HRID 167080 반응식
[Br:31][CH2:32][c:33]1[n:34][n:35]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:1]=[C:2]1[CH2:3][C:4](=[O:30])[N:5]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:6]2[c:7]([cH:20][cH:21][cH:22][cH:23]2)[N:8]1[CH2:9][C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[O:1]=[C:2]1[CH:3]([CH2:32][c:33]2[n:34][n:35]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]23)[C:4](=[O:30])[N:5]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:6]2[c:7]([cH:20][cH:21][cH:22][cH:23]2)[N:8]1[CH2:9][C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1140TolueneHCID 6228DimethylformamideHCID 108049513-(Bromomethyl)-1H-indazole, N1-BOC protectedHCID 86602390benzyl (2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)acetate

생성물 1

HCID 69426247tert-butyl 3-({1-[2-(benzyloxy)-2-oxoethyl]-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}methyl)-1H-indazole-1-carboxylate

출처 및 근거

ORD 기록
ord-2896de4fce624078bbd2f68c9b810aae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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