HRID97502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID12286

3-Bromopyridine

C5H4BrN

结构：COc1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID11733735

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2cc(C(O)(c3cccnc3)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID22018400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f0db5b500284a75b7db81a9a74d582c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][cH:5][cH:6][cH:7]1.[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][O:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][c:20]([C:25](=[O:26])[c:27]3[n:28][cH:29][n:30]([C:32]([c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[cH:31]3)[cH:21][c:22]2[cH:23][cH:24]1.[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[OH2:51].[OH:63][C:64]([CH2:65][C:66]([C:67](=[O:68])[OH:69])([CH2:70][C:71](=[O:72])[OH:73])[OH:74])=[O:75]>>[c:2]1([C:25]([c:20]2[cH:19][cH:18][c:17]3[cH:16][c:15]([O:14][CH3:13])[cH:24][cH:23][c:22]3[cH:21]2)([OH:26])[c:27]2[n:28][cH:29][n:30]([C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:31]2)[cH:3][n:4][cH:5][cH:6][cH:7]1