HRID1234239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID13097

Triphenylphosphine oxide

C18H15OP

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57475990

未命名化合物

结构：Cc1sc2cc(C(=O)O)[nH]c2c1N(C)S(=O)(=O)c1cccs1

HCID59411385

未命名化合物

PRODUCTS

生成物

结构：COC(OC)C1CN=C(c2cc3sc(C)c(N(C)S(=O)(=O)c4cccs4)c3[nH]2)S1

HCID59411383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b002107575d04214a3c4bcfa7ecb6ff5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:61](=[O:62])([O-:63])[OH:64].[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[S:30][CH:31]([CH2:32][NH2:33])[CH:34]([O:35][CH3:36])[O:37][CH3:38].[CH3:104][C:105]#[N:106].[CH3:1][c:2]1[c:3]([N:13]([S:14](=[O:15])(=[O:16])[c:17]2[s:18][cH:19][cH:20][cH:21]2)[CH3:22])[c:4]2[nH:5][c:6]([C:10]([OH:11])=[O:12])[cH:7][c:8]2[s:9]1.[CH3:50][N:51]([CH3:52])[CH2:53][CH2:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH3:60].[Cl:101][CH2:102][Cl:103].[ClH:49].[F:86][C:87]([S:88]([O:89][S:90]([C:91]([F:92])([F:93])[F:94])(=[O:95])=[O:96])(=[O:97])=[O:98])([F:99])[F:100].[Na+:65].[O:107]1[CH2:108][CH2:109][CH2:110][CH2:111]1.[c:66]1([P:67](=[O:68])([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[n:39]1([OH:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][c:2]1[c:3]([N:13]([S:14](=[O:15])(=[O:16])[c:17]2[s:18][cH:19][cH:20][cH:21]2)[CH3:22])[c:4]2[nH:5][c:6]([C:10]3=[N:33][CH2:32][CH:31]([CH:34]([O:35][CH3:36])[O:37][CH3:38])[S:30]3)[cH:7][c:8]2[s:9]1