HRID2126194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C

HCID4451

未命名化合物

HCID6395

Methanesulfonic acid

CH4O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

PRODUCTS

产物

HCID4451

未命名化合物

HCID6395

Methanesulfonic acid

CH4O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-48b3f2ed1dc741769ee5be50cda637c6
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])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([CH2:18][CH:19]([CH:20]([CH2:21][S:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[NH:29][C:30]([c:31]2[c:32]([CH3:38])[c:33]([OH:37])[cH:34][cH:35][cH:36]2)=[O:39])[OH:40])[CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17]1.[CH3:41][S:42]([OH:43])(=[O:44])=[O:45].[CH3:46][O:47][C:48]([CH3:49])([CH3:50])[CH3:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([CH2:18][CH:19]([CH:20]([CH2:21][S:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[NH:29][C:30]([c:31]2[c:32]([CH3:38])[c:33]([OH:37])[cH:34][cH:35][cH:36]2)=[O:39])[OH:40])[CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17]1.[CH3:41][S:42](=[O:43])(=[O:44])[OH:45]