HRID693940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1)C(F)(F)F

HCID57737242

未命名化合物

PRODUCTS

生成物

结构：Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1

HCID57737167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3175177dbc9c4ec58461609697182614
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

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[ClH:1].[F:2][C:3]([F:4])([F:5])[C:40]([NH:6][c:7]1[cH:8][c:9](-[c:13]2[n:14][n:15]3[c:16]([cH:17][cH:18][cH:19][cH:20]3)[c:21]2-[c:22]2[n:23][c:24]([NH:28][c:29]3[cH:30][c:31](-[c:35]4[cH:36][n:37][cH:38][o:39]4)[cH:32][cH:33][cH:34]3)[n:25][cH:26][cH:27]2)[cH:10][cH:11][cH:12]1)=[O:41].[Li+:43].[OH-:42].[OH2:49]>>[NH2:6][c:7]1[cH:8][c:9](-[c:13]2[n:14][n:15]3[c:16]([cH:17][cH:18][cH:19][cH:20]3)[c:21]2-[c:22]2[n:23][c:24]([NH:28][c:29]3[cH:30][c:31](-[c:35]4[cH:36][n:37][cH:38][o:39]4)[cH:32][cH:33][cH:34]3)[n:25][cH:26][cH:27]2)[cH:10][cH:11][cH:12]1