HRID1142136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID59627375

未命名化合物

HCID59627383

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(Cl)nccc2c1Nc1ncccc1-c1ncnc2[nH]ncc12

HCID59627378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bda8382b2cd4a4586ea566567def43f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:47]([OH:48])(=[O:49])[CH3:50].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:30][Si:31]([N-:32][Si:33]([CH3:34])([CH3:35])[CH3:36])([CH3:37])[CH3:38].[CH3:40][OH:41].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[c:7]([NH2:13])[c:8]([CH3:12])[cH:9][cH:10][c:11]12.[F:14][c:15]1[n:16][cH:17][cH:18][cH:19][c:20]1-[c:21]1[c:22]2[c:23]([n:24][cH:25][n:26]1)[nH:27][n:28][cH:29]2.[Li+:39]>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[c:7]([NH:13][c:15]3[n:16][cH:17][cH:18][cH:19][c:20]3-[c:21]3[c:22]4[c:23]([n:24][cH:25][n:26]3)[nH:27][n:28][cH:29]4)[c:8]([CH3:12])[cH:9][cH:10][c:11]12