HRID184560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：COC(=O)c1ccc(-c2cc(Cl)c(CN3CCC(C4CCC(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC4)C3=O)c(Cl)c2)cc1

HCID67355680

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](OC1CCC(C2CCN(Cc3c(Cl)cc(-c4ccc(C(=O)O)cc4)cc3Cl)C2=O)CC1)(c1ccccc1)c1ccccc1

HCID67355400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f724106238645889db53042ddd57ba7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]([Cl:49])[c:14]([CH2:18][N:19]3[C:20](=[O:48])[CH:21]([CH:24]4[CH2:25][CH2:26][CH:27]([O:30][Si:31]([c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)([c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:28][CH2:29]4)[CH2:22][CH2:23]3)[c:15]([Cl:17])[cH:16]2)[cH:9][cH:10]1.[CH3:57][OH:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Li+:51].[OH-:50]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]([Cl:49])[c:14]([CH2:18][N:19]3[C:20](=[O:48])[CH:21]([CH:24]4[CH2:25][CH2:26][CH:27]([O:30][Si:31]([c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)([c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:28][CH2:29]4)[CH2:22][CH2:23]3)[c:15]([Cl:17])[cH:16]2)[cH:9][cH:10]1