HRID2157364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

结构：COc1cc(NS(=O)(=O)N2CCNCC2)nc(SCc2cccc(F)c2F)n1

HCID11524815

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NS(=O)(=O)N2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)nc(SCc2cccc(F)c2F)n1

HCID86619892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d04cb29ad7aa4bd99328ecae159863be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[OH:12].[CH3:53][N:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[ClH:52].[F:24][c:25]1[c:26]([CH2:32][S:33][c:34]2[n:35][c:36]([O:50][CH3:51])[cH:37][c:38]([NH:40][S:41](=[O:42])(=[O:43])[N:44]3[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]3)[n:39]2)[cH:27][cH:28][cH:29][c:30]1[F:31].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:13].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:12])[N:47]1[CH2:46][CH2:45][N:44]([S:41]([NH:40][c:38]2[cH:37][c:36]([O:50][CH3:51])[n:35][c:34]([S:33][CH2:32][c:26]3[c:25]([F:24])[c:30]([F:31])[cH:29][cH:28][cH:27]3)[n:39]2)(=[O:42])=[O:43])[CH2:49][CH2:48]1