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Acetic Acid → 3-(2-tert-butylphenyl)-N-p-tolyl-1H-indole-1-carboxamide

HRID 1224981
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반응식

HRID 1224981 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6](-[c:11]2[cH:12][nH:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:7][cH:8][cH:9][cH:10]1.[CH3:21][Si:22]([N-:23][Si:24]([CH3:25])([CH3:26])[CH3:27])([CH3:28])[CH3:29].[CH3:30][c:31]1[cH:32][cH:33][c:34]([N:37]=[C:38]=[O:39])[cH:35][cH:36]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:49][OH:50].[Na+:20].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6](-[c:11]2[cH:12][n:13]([C:38]([NH:37][c:34]3[cH:33][cH:32][c:31]([CH3:30])[cH:36][cH:35]3)=[O:39])[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:7][cH:8][cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 693254-Methylphenyl isocyanateHCID 3280088Npc316347HCID 672410893-(2-tert-butylphenyl)-1H-indole

생성물 1

HCID 59804519
3-(2-tert-butylphenyl)-N-p-tolyl-1H-indole-1-carboxamide

출처 및 근거

ORD 기록
ord-39d26623b95f48d8975ef32e5db18f7f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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