HRID164323

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-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1cc(F)c(N2CCC(c3ccccc3)C(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C2)c(F)c1

HCID178498338

未命名化合物

PRODUCTS

生成物

结构：CC(c1cccc2ccccc12)N(CC1CN(c2c(F)cc(C(=O)O)cc2F)CCC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e84df258c7c4fb0ad034cd655727aa5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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