HRID2141715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID19660

Carbonate

CO3-2

反应SMILES：COCCOCOc1c(OC)cc(C=CC=CC(=O)N2CCN(CCOC(C)(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1OC

HCID54343586

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(C=CC=CC(=O)N2CCN(CCOC(C)(c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1O

HCID86741625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8352dfc9c66b4960bc02fada3cfba031
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

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