HRID157951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID19660

Carbonate

CO3-2

HCID3028194

Lithium

结构：Cc1c(CCC(=O)c2cn(C)c3ccccc23)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21273246

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CC(C)C(=O)c2cn(C)c3ccccc23)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21273230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1db1809245644098a89d17384a4b3209
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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