HRID671585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc(C2CCN(CC(=O)OC(C)(C)C)CC2)ccc1N

HCID66711699

未命名化合物

结构：COc1ccccc1-c1ccc2cnc(OS(=O)(=O)C(F)(F)F)nn12

HCID86661678

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2CCN(CC(=O)OC(C)(C)C)CC2)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1

HCID66712696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1f67843ebfd4e73b75797d7e8913021
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31]([CH2:32][N:33]1[CH2:34][CH2:35][CH:36]([c:39]2[cH:40][c:41]([O:46][CH3:47])[c:42]([NH2:45])[cH:43][cH:44]2)[CH2:37][CH2:38]1)=[O:48].[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]3[cH:13][n:14][c:15]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[n:16][n:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:58][O:59][CH2:60][CH:61]([OH:62])[CH3:63].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]3[cH:13][n:14][c:15]([NH:45][c:42]4[c:41]([O:46][CH3:47])[cH:40][c:39]([CH:36]5[CH2:35][CH2:34][N:33]([CH2:32][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:48])[CH2:38][CH2:37]5)[cH:44][cH:43]4)[n:16][n:17]23)[cH:5][cH:6][cH:7][cH:8]1