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methyl((1-methyl-1H-indol-2-yl)methyl)amine → 2-(hydroxymethyl)-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N,4-dimethyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide

HRID 156285
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HRID 156285 반응식
[C:52]([CH2:53][CH:54]1[C:55](=[O:56])[N:57]([CH3:58])[CH2:59][c:60]2[cH:61][c:62]([C:63]([OH:64])=[O:65])[cH:66][cH:67][c:68]2[NH:69]1)([O:70][CH3:71])=[O:72].[CH3:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[cH:29][c:30]1[CH2:31][NH:32][CH3:33].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:16][NH:17][CH3:18])[cH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:19][cH:20]1.[OH:34][CH2:35][CH:36]1[NH:37][c:38]2[c:39]([cH:45][c:46]([C:49](=[O:50])[OH:51])[cH:47][cH:48]2)[CH2:40][N:41]([CH3:44])[C:42]1=[O:43]>>[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:16][N:17]([CH3:18])[C:49]([c:46]3[cH:45][c:39]4[c:38]([cH:48][cH:47]3)[NH:37][CH:36]([CH2:35][OH:34])[C:42](=[O:43])[N:41]([CH3:44])[CH2:40]4)=[O:50])[cH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:19][cH:20]1
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5

반응물 4

HCID 11401058methyl((1-methyl-1H-indol-2-yl)methyl)amineHCID 23505570Methyl 7-carboxy-2,3,4,5-tetrahydro-4-methyl-3-oxo-1h-1,4-benzodiazepine-2-acetateHCID 235055811-(4-Hydroxybenzyl)-2-(methylaminomethyl)indoleHCID 178479947HCID 178479947, 화합물

생성물 1

HCID 99138302-(hydroxymethyl)-N-[[1-[(4-hydroxyphenyl)methyl]indol-2-yl]methyl]-N,4-dimethyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide

출처 및 근거

ORD 기록
ord-f2c78ff7bffc4c06b6d621d26314598d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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