HRID1216586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7969

Benzenethiol

C6H6S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(COS(C)(=O)=O)nc32)C(O)C1O

HCID18348410

未命名化合物

PRODUCTS

生成物

结构：COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CSc4ccccc4)nc32)C(O)C1O

HCID178494748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8123c71d2414c7eba815d0d038f5efd
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

[CH3:1][S:2]([O:3][CH2:6][c:7]1[n:8][c:9]([NH:26][CH2:27][CH:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[O:17][CH:18]([CH2:23][O:24][CH3:25])[CH:19]([OH:22])[CH:20]3[OH:21])[c:14]2[n:15]1)(=[O:4])=[O:5].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[SH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:6]([c:7]1[n:8][c:9]([NH:26][CH2:27][CH:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[O:17][CH:18]([CH2:23][O:24][CH3:25])[CH:19]([OH:22])[CH:20]3[OH:21])[c:14]2[n:15]1)[S:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1