HRID2149685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3826051

未命名化合物

结构：COc1cc(F)c(C2CCN(C(=O)COC(C)=O)CC2)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178492913

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C2CCN(C(=O)CO)CC2)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178492912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e638f267a0b84752932410a59eb789ab
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

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