HRID941230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID46835556

tert-Butyl 3-(4-amino-2-methoxyphenoxy)azetidine-1-carboxylate

C15H22N2O4

HCID67460529

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2CC(OC)OC)ccc1OC1CN(C(=O)OC(C)(C)C)C1

HCID67461234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da5c10b35c1547a2b9b3fd43f7a2403e
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH:31]([O:33][c:34]2[c:35]([O:41][CH3:42])[cH:36][c:37]([NH2:40])[cH:38][cH:39]2)[CH2:32]1.[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[CH3:64][N:65]([CH3:66])[CH2:67][CH2:68][CH2:69][N:70]=[C:71]=[N:72][CH2:73][CH3:74].[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]([C:19](=[O:20])[OH:21])[c:11]([CH2:13][CH:14]([O:15][CH3:16])[O:17][CH3:18])[n:12]2)[cH:6][cH:7]1.[ClH:63].[OH2:43].[OH2:80].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]([C:19](=[O:21])[NH:40][c:37]3[cH:36][c:35]([O:41][CH3:42])[c:34]([O:33][CH:31]4[CH2:30][N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:32]4)[cH:39][cH:38]3)[c:11]([CH2:13][CH:14]([O:15][CH3:16])[O:17][CH3:18])[n:12]2)[cH:6][cH:7]1