Formic Acid → 3-methoxy-4-(2-methoxymethyl-1H-benzimidazol-4-yl)carbonylamino-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide

반응식

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

참가 물질

반응물 3

HCID 284Formic Acid

HCID 887Methanol

HCID 18354861HCID 18354861, 화합물

생성물 1

HCID 183551013-methoxy-4-(2-methoxymethyl-1H-benzimidazol-4-yl)carbonylamino-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide

출처 및 근거

ORD 기록: ord-dfc840ec98714dd4a4c7cf2936c90636
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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