(5BETA,17BETA)-17-羟基-17-(甲基-D3)-2'H-雄甾-2-烯并[3,2-C]吡唑-5'(1'H)-酮 → (E)-N-(5-(pyrrolidin-1-yl)-2-(3,4,5-trimethoxybenzylideneamino)phenyl)benzamide

HRID 93030

反应方程式

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

参与物

反应物 3

HCID 887(5BETA,17BETA)-17-羟基-17-(甲基-D3)-2'H-雄甾-2-烯并[3,2-C]吡唑-5'(1'H)-酮

HCID 68583,4,5-三甲氧基苯甲醛

HCID 68515788N-(2-amino-5-(pyrrolidin-1-yl)phenyl)benzamide

产物 1

HCID 68519118(E)-N-(5-(pyrrolidin-1-yl)-2-(3,4,5-trimethoxybenzylideneamino)phenyl)benzamide

来源与证据

ORD记录: ord-6b8a10f14e264e17b9907616bfc7bb5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

关联笔记

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