Benzo-1,3-dioxole-5-methylamine → N-Benzo[1,3]dioxol-5-ylmethyl-2-[1-(3,4-dimethoxy-benzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-2-phenyl-acetamide

HRID 124757

반응식

HRID 124757 반응식
[CH2:37]([c:38]1[cH:39][c:40]2[c:44]([cH:45][cH:46]1)[O:43][CH2:42][O:41]2)[NH2:47].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH:22]([C:23](=[O:24])[OH:25])[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:9][CH2:10][CH2:11][c:12]3[c:13]2[cH:14][c:15]([O:20][CH3:21])[c:16]([O:18][CH3:19])[cH:17]3)[cH:32][cH:33][c:34]1[O:35][CH3:36]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH:22]([C:23](=[O:24])[NH:47][CH2:37][c:38]3[cH:39][c:40]4[c:44]([cH:45][cH:46]3)[O:43][CH2:42][O:41]4)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:9][CH2:10][CH2:11][c:12]3[c:13]2[cH:14][c:15]([O:20][CH3:21])[c:16]([O:18][CH3:19])[cH:17]3)[cH:32][cH:33][c:34]1[O:35][CH3:36]

참가 물질

3

반응물 2

HCID 75799Benzo-1,3-dioxole-5-methylamineHCID 18442565[1-(3,4-Dimethoxy-benzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-phenyl-acetic acid

생성물 1

HCID 10189347N-Benzo[1,3]dioxol-5-ylmethyl-2-[1-(3,4-dimethoxy-benzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-2-phenyl-acetamide

출처 및 근거

ORD 기록
ord-1cb01fd2ac1a4ab38d12bfb6a6fef07c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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