HRID1114252

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

HCID57440415

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2cc(NC(=O)c3ccc(N4CCN(C)CC4)s3)[nH]n2)cc(OC)c1

HCID66589833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f720ed4c72154b81bb626ab9fc93ffe2
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:41]([CH:42]([CH:43]([C:44]([O-:45])=[O:46])[OH:47])[OH:48])([O-:49])=[O:50].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:23][O:24][c:25]1[cH:26][c:27]([CH2:33][O:34][c:35]2[cH:36][c:37]([NH2:40])[nH:38][n:39]2)[cH:28][c:29]([O:31][CH3:32])[cH:30]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][cH:14][c:15]([C:17]([O:19][CH2:18][CH3:20])=[O:21])[s:16]2)[CH2:10][CH2:11]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[ClH:22].[K+:52].[Na+:51].[OH2:60]>>[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][cH:14][c:15]([C:17](=[O:19])[NH:40][c:37]3[cH:36][c:35]([O:34][CH2:33][c:27]4[cH:26][c:25]([O:24][CH3:23])[cH:30][c:29]([O:31][CH3:32])[cH:28]4)[n:39][nH:38]3)[s:16]2)[CH2:10][CH2:11]1