HRID192403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID10242688

tert-Butyl [4-(hydroxymethyl)phenyl]carbamate

C12H17NO3

HCID66751042

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)CN(Cc3ccc(NC(=O)OC(C)(C)C)cc3)S2(=O)=O)c(OC)c1

HCID67138359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65a0085b6f424fb28c8c8ae54cb6647f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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