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Ethanol → 2-methyl-4-(3-methylindol-2-yl)-2-[(5-methyl-1-trityl-1H-imidazol-4-yl)methyl]butyric acid

HRID 315172
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반응식

HRID 315172 반응식
[CH3:1][C:2]1([CH2:17][c:18]2[n:19][cH:20][n:21]([C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:22]2[CH3:23])[CH2:3][CH2:4][c:5]2[n:6]([c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[c:13]2[CH3:14])[C:15]1=[O:16].[CH3:45][CH2:46][OH:47].[Na+:44].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH-:43]>>[CH3:1][C:2]([CH2:3][CH2:4][c:5]1[nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[c:13]1[CH3:14])([C:15](=[O:16])[OH:47])[CH2:17][c:18]1[n:19][cH:20][n:21]([C:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:22]1[CH3:23]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 312751,4-DioxaneHCID 100532708,9-dihydro-7,10-dimethyl-7-[(5-methyl-1-trityl-1H-imidazol-4-yl)methyl]pyrido[1,2-a]indol-6(7H)-one

생성물 1

HCID 104155442-methyl-4-(3-methylindol-2-yl)-2-[(5-methyl-1-trityl-1H-imidazol-4-yl)methyl]butyric acid

출처 및 근거

ORD 기록
ord-8a7a94811fed4277b5e3aa10f6f9efaf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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