HRID702695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：C[Si](C)(C)CCOCn1ccc2c(NC(=O)c3ccc4c(c3)SCCC4NC(=O)OCc3ccccc3)ccnc21

HCID22337408

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NC1CCSc2cc(C(=O)Nc3ccnc4c3ccn4CO)ccc21)OCc1ccccc1

HCID22337463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5c080b6f79aa40078ab80637e2280084
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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