HRID1552718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID3806114

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57440381

未命名化合物

HCID57440412

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2cc(NC(=O)c3ccc(N4CCN(C)C(C)C4)s3)[nH]n2)cc(OC)c1

HCID66589605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3983f7d496b14a1290264cdc31c91ea4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:42]([CH:43]([CH:44]([C:45]([O-:46])=[O:47])[OH:48])[OH:49])([O-:50])=[O:51].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:24][O:25][c:26]1[cH:27][c:28]([CH2:34][O:35][c:36]2[cH:37][c:38]([NH2:41])[nH:39][n:40]2)[cH:29][c:30]([O:32][CH3:33])[cH:31]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:5][CH:6]1[CH2:7][N:8]([c:13]2[cH:14][cH:15][c:16]([C:18]([O:20][CH2:19][CH3:21])=[O:22])[s:17]2)[CH2:9][CH2:10][N:11]1[CH3:12].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[ClH:23].[K+:53].[Na+:52].[OH2:61]>>[CH3:5][CH:6]1[CH2:7][N:8]([c:13]2[cH:14][cH:15][c:16]([C:18](=[O:20])[NH:41][c:38]3[cH:37][c:36]([O:35][CH2:34][c:28]4[cH:27][c:26]([O:25][CH3:24])[cH:31][c:30]([O:32][CH3:33])[cH:29]4)[n:40][nH:39]3)[s:17]2)[CH2:9][CH2:10][N:11]1[CH3:12]