HRID177443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1133

Thioglycolic acid

C2H4O2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID28486

Lithium ion

Li+

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：COC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

HCID23157467

未命名化合物

结构：OCc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1

HCID23157492

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(NCc2ccc(Cn3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1

HCID23157561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-662b7baad043439ea655ee37ffc39e46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:99][N:100]([CH3:101])[CH:102]=[O:103].[Cl:96][CH2:97][Cl:98].[Li+:90].[N+:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[NH:13][c:14]1[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]1)([O-:11])=[O:12].[Na+:91].[O:71]=[C:72]([O:73][CH2:74][CH3:75])[N:76]=[N:77][C:78]([O:79][CH2:80][CH3:81])=[O:82].[OH-:89].[OH2:88].[OH:92][C:93](=[O:94])[O-:95].[SH:83][CH2:84][C:85]([OH:86])=[O:87].[c:26]1(-[c:32]2[n:33][n:34]([CH2:43][c:44]3[cH:45][cH:46][c:47]([CH2:50][OH:51])[cH:48][cH:49]3)[c:35](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:36]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[NH:13]([c:14]1[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]1)[CH2:50][c:47]1[cH:46][cH:45][c:44]([CH2:43][n:34]2[n:33][c:32](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:36][c:35]2-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:49][cH:48]1