HRID2335654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12148524

tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate

C14H17NO3

HCID58259993

未命名化合物

结构：COc1cc(F)c(F)cc1-c1ccc(OCc2ccc3ccn(C(=O)OC(C)(C)C)c3c2)cc1

HCID67151928

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2ccn3C(=O)OC(C)(C)C)cc1

HCID67151940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-febeb41824d04d4488d3d26358430ccc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([O:2][C:3]([n:4]1[c:5]2[c:6]([cH:7][cH:8][c:9]([CH2:17][O:18][c:19]3[cH:20][cH:21][c:22](-[c:25]4[c:26]([O:33][CH3:34])[cH:27][c:28]([F:32])[c:29]([F:31])[cH:30]4)[cH:23][cH:24]3)[cH:10]2)[cH:11][cH:12]1)=[O:13])([CH3:14])([CH3:15])[CH3:16].[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[n:42]1[cH:43][cH:44][c:45]2[c:46]([CH2:51][OH:52])[cH:47][cH:48][cH:49][c:50]12.[F:53][c:54]1[c:55]([F:56])[cH:57][c:58](-[c:59]2[cH:60][cH:61][c:62]([OH:63])[cH:64][cH:65]2)[c:66]([O:67][CH3:68])[cH:69]1>>[CH2:17]([O:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[c:26]([O:33][CH3:34])[cH:27][c:28]([F:32])[c:29]([F:31])[cH:30]2)[cH:23][cH:24]1)[c:46]1[c:45]2[cH:44][cH:43][n:42]([C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:41])[c:50]2[cH:49][cH:48][cH:47]1