HRID1539295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7509

Benzenemethanethiol

C7H8S

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(CSCc4ccccc4)nc32)C(O)C1O

HCID18348485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fda03f6d88704a7abc08244189a7a855
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

[CH3:1][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].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[Cl:56][CH2:57][Cl:58].[c:41]1([CH2:47][SH:48])[cH:42][cH:43][cH:44][cH:45][cH:46]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][CH2:47][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1