HRID2321390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID6569

Methyl ethyl ketone

C4H8O

HCID7914

Isopropyl ether

C6H14O

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1onc(-c2ccccc2)c1C(=O)NC1CCC(c2ccccc2)(N(C)C)CC1

HCID66651401

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID66651401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79bdcf1b475444628ce4dde0e35a1233
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

[CH3:1][N:2]([C:3]1([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:4][CH2:5][CH:6]([NH:9][C:10](=[O:11])[c:12]2[c:13](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:14][o:15][c:16]2[CH3:17])[CH2:7][CH2:8]1)[CH3:30].[CH3:44][C:45](=[O:46])[CH2:47][CH3:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:37]([O:38][CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:32][Si:33]([CH3:34])([CH3:35])[CH3:36].[ClH:31].[OH2:55]>>[CH3:1][N:2]([C:3]1([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:4][CH2:5][CH:6]([NH:9][C:10](=[O:11])[c:12]2[c:13](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:14][o:15][c:16]2[CH3:17])[CH2:7][CH2:8]1)[CH3:30].[ClH:32]