HRID1135361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID947

Nitrogen

HCID961

Hydroxide

HO-

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID68147

8-Azabicyclo[3.2.1]octan-3-ol

C7H13NO

结构：O=Cc1ccc(-c2ccc3ncnc(Nc4ccc5c(ccn5S(=O)(=O)c5ccccc5)c4)c3c2)cc1

HCID11670622

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)n1ccc2cc(Nc3ncnc4ccc(-c5ccc(CN6C7CCC6CC(O)C7)cc5)cc34)ccc21

HCID9851963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08ceb0c0230b42ec9f36db62dab2301c
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:54]([OH:55])(=[O:56])[CH3:57].[CH3:58][OH:59].[CH:1]12[CH2:2][CH:3]([OH:9])[CH2:4][CH:5]([CH2:6][CH2:7]1)[NH:8]2.[Cl:51][CH2:52][Cl:53].[Cl:60][CH:61]([Cl:62])[Cl:63].[N:47]#[N:48].[Na+:50].[OH-:49].[c:10]1([S:16](=[O:17])(=[O:18])[n:19]2[cH:20][cH:21][c:22]3[cH:23][c:24]([NH:28][c:29]4[n:30][cH:31][n:32][c:33]5[cH:34][cH:35][c:36](-[c:39]6[cH:40][cH:41][c:42]([CH:43]=[O:44])[cH:45][cH:46]6)[cH:37][c:38]45)[cH:25][cH:26][c:27]23)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[CH:1]12[CH2:2][CH:3]([OH:9])[CH2:4][CH:5]([CH2:6][CH2:7]1)[N:8]2[CH2:43][c:42]1[cH:41][cH:40][c:39](-[c:36]2[cH:35][cH:34][c:33]3[n:32][cH:31][n:30][c:29]([NH:28][c:24]4[cH:23][c:22]5[cH:21][cH:20][n:19]([S:16]([c:10]6[cH:11][cH:12][cH:13][cH:14][cH:15]6)(=[O:17])=[O:18])[c:27]5[cH:26][cH:25]4)[c:38]3[cH:37]2)[cH:46][cH:45]1