HRID1118639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1cc(OC)cc2c1ccc(=O)n2CCN1CCC(N(Cc2ccc3c(c2)OCCO3)C(=O)OC(C)(C)C)CC1

HCID59398062

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)O)c2ccc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1

HCID59398022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f05a27c93e10495da8177955800ad90b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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