Methylamine → 3-chloro-4-(3-(4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-2-yl)-4H-1,2,4-triazol-4-yl)-N-methylbenzamide

반응식

[CH3:30][NH2:31].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1-[n:11]1[c:12](-[c:16]2[cH:17][c:18]3[c:19]([s:29]2)-[c:20]2[c:21]([cH:25][cH:26][cH:27][cH:28]2)[O:22][CH2:23][CH2:24]3)[n:13][n:14][cH:15]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:31][CH3:30])[cH:8][cH:9][c:10]1-[n:11]1[c:12](-[c:16]2[cH:17][c:18]3[c:19]([s:29]2)-[c:20]2[c:21]([cH:25][cH:26][cH:27][cH:28]2)[O:22][CH2:23][CH2:24]3)[n:13][n:14][cH:15]1

참가 물질

반응물 2

HCID 6329Methylamine

HCID 579003043-Chloro-4-(3-(4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-2-yl)-4H-1,2,4-triazol-4-yl)benzoic acid

생성물 1

HCID 579003293-chloro-4-(3-(4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-2-yl)-4H-1,2,4-triazol-4-yl)-N-methylbenzamide

출처 및 근거

ORD 기록: ord-0fb63690d6724370b8ce26da4c0eeb50
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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