HRID1565497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：CN(c1cccc2cc(C3=NCC(CCO)S3)[nH]c12)S(=O)(=O)c1cccs1

HCID57476293

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccc2cc(C3=NCC(CCN)S3)[nH]c12)S(=O)(=O)c1cccs1

HCID59135988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93646d102b46480195bb7f0b34940c7d
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

[CH3:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[Na+:76].[O:47]=[C:48]([N:49]=[N:53][C:54]([O:55][CH2:56][CH3:57])=[O:58])[O:50][CH2:51][CH3:52].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[OH2:86].[OH:1][CH2:2][CH2:3][CH:4]1[CH2:5][N:6]=[C:7]([c:9]2[nH:10][c:11]3[c:12]([N:18]([S:19](=[O:20])(=[O:21])[c:22]4[s:23][cH:24][cH:25][cH:26]4)[CH3:27])[cH:13][cH:14][cH:15][c:16]3[cH:17]2)[S:8]1.[OH:77][C:78](=[O:79])[O-:80].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:59]1([P:60]([N:61]=[N+:62]=[N-:63])([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)=[O:70])[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[CH2:2]([CH2:3][CH:4]1[CH2:5][N:6]=[C:7]([c:9]2[nH:10][c:11]3[c:12]([N:18]([S:19](=[O:20])(=[O:21])[c:22]4[s:23][cH:24][cH:25][cH:26]4)[CH3:27])[cH:13][cH:14][cH:15][c:16]3[cH:17]2)[S:8]1)[NH2:49]