HRID1570605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID13097

Triphenylphosphine oxide

C18H15OP

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：Cc1sc2cc(C(=O)NCC3(SCc4ccccc4)CCNCC3)[nH]c2c1N(C)S(=O)(=O)c1cccs1

HCID59411373

未命名化合物

PRODUCTS

生成物

结构：Cc1sc2cc(C3=NCC4(CCNCC4)S3)[nH]c2c1N(C)S(=O)(=O)c1cccs1

HCID59411372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd5c732b17074b18a32f23033312d151
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

[CH2:36]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:53]1)[S:43][C:44]1([CH2:50][NH:51][C:52](=[O:37])[c:54]2[cH:55][c:56]3[c:57]([nH:58]2)[c:59]([N:63]([S:64](=[O:65])(=[O:66])[c:67]2[s:68][cH:69][cH:70][cH:71]2)[CH3:72])[c:60]([CH3:62])[s:61]3)[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[Cl:73][CH2:74][Cl:75].[F:21][C:22]([S:23]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])(=[O:32])=[O:33])([F:34])[F:35].[c:1]1([P:2](=[O:3])([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[S:43]1[C:44]2([CH2:45][CH2:46][NH:47][CH2:48][CH2:49]2)[CH2:50][N:51]=[C:52]1[c:54]1[cH:55][c:56]2[c:57]([nH:58]1)[c:59]([N:63]([S:64](=[O:65])(=[O:66])[c:67]1[s:68][cH:69][cH:70][cH:71]1)[CH3:72])[c:60]([CH3:62])[s:61]2