HRID1147773

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-

结构：COC(=O)c1cc(F)c(N2CCC(c3ccccc3F)C(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C2)c(F)c1

HCID178498339

未命名化合物

PRODUCTS

生成物

结构：CC(c1cccc2ccccc12)N(CC1CN(c2c(F)cc(C(=O)O)cc2F)CCC1c1ccccc1F)C(=O)OC(C)(C)C

HCID178435708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff0c2e05de3d41f786c419b8eb58842a
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]([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:35]2[c:36]([F:46])[cH:37][c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][c:44]2[F:45])[CH2:25][CH2:26][CH:27]1[c:28]1[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]1.[CH3:50][OH:51].[ClH:49].[Na+:48].[OH-:47]>>[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:35]2[c:36]([F:46])[cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:43][c:44]2[F:45])[CH2:25][CH2:26][CH:27]1[c:28]1[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]1