HRID2319577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID94460

3,5-Dichlorophenyl isocyanate

C7H3Cl2NO

结构：CCOC(=O)C1(Cc2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C

HCID22479269

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1(Cc1ccc(Br)cc1)C(=O)O

HCID4279827

1-Boc-2-(4-bromobenzyl)-2-pyrrolidinecarboxylic acid

C17H22BrNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-467eb82c9a8b4eefb82de72dac399dcb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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