HRID203961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID30165

Iodide ion

I-

HCID23078875

未命名化合物

反应SMILES：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(OCCCOS(C)(=O)=O)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476143

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(OCCCNCC(C)(C)C(=O)OCc3ccccc3)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-73c5d1760a894c579fa7092750ef2aeb
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:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:47]([CH3:48])[CH3:49])[c:29]2[CH2:30][c:31]2[c:32]([CH3:46])[cH:33][c:34]([O:37][CH2:38][CH2:39][CH2:40][O:41][S:42]([CH3:43])(=[O:44])=[O:45])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH3:68][CH:69]([OH:70])[CH3:71].[I-:66].[NH2:50][CH2:51][C:52]([C:53](=[O:54])[O:55][CH2:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)([CH3:63])[CH3:64].[Na+:65].[OH2:67]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:47]([CH3:48])[CH3:49])[c:29]2[CH2:30][c:31]2[c:32]([CH3:46])[cH:33][c:34]([O:37][CH2:38][CH2:39][CH2:40][NH:50][CH2:51][C:52]([C:53](=[O:54])[O:55][CH2:56][c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)([CH3:63])[CH3:64])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]