HRID2347176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(Nc3ncnc4ccn(CCOCCOC(=O)c5ccccc5)c34)cc2Cl)CC1

HCID67520588

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(Nc3ncnc4ccn(CCOCCO)c34)cc2Cl)CC1

HCID57597228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ce02b03bba5455a8bf04a0182fb9518
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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