海萝胶 → 5-benzyloxy-N-(6-isopropylpyridin-3-yl)-N-({1-[(4-trifluoromethylphenyl)methyl]pyrazol-4-yl}methyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

HRID 109139

反应方程式

HRID 109139 反应方程式
[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]2[c:16]([cH:17][cH:18][cH:19]1)[CH:15]([C:20](=[O:21])[N:22]([CH2:23][c:24]1[cH:25][n:26][nH:27][cH:28]1)[c:29]1[cH:30][n:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]1)[CH2:14][CH2:13][CH2:12]2.[ClH:1].[F:38][C:39]([c:40]1[cH:41][cH:42][c:43]([CH2:44][Cl:45])[cH:46][cH:47]1)([F:48])[F:49]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]2[c:16]([cH:17][cH:18][cH:19]1)[CH:15]([C:20](=[O:21])[N:22]([CH2:23][c:24]1[cH:25][n:26][n:27]([CH2:44][c:43]3[cH:42][cH:41][c:40]([C:39]([F:38])([F:48])[F:49])[cH:47][cH:46]3)[cH:28]1)[c:29]1[cH:30][n:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]1)[CH2:14][CH2:13][CH2:12]2

参与物

4

反应物 3

HCID 313海萝胶HCID 1230964-(三氟甲基)苄基氯HCID 595974325-benzyloxy-N-(6-isopropylpyridin-3-yl)-N-[(pyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

产物 1

HCID 595973895-benzyloxy-N-(6-isopropylpyridin-3-yl)-N-({1-[(4-trifluoromethylphenyl)methyl]pyrazol-4-yl}methyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

来源与证据

ORD记录
ord-7b9fb0e48f0442f8a75e0b34e008d79b
来源数据集
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

关联笔记

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