HRID125899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：COC(=O)Cc1cc(Cl)cc(OCCC2(N3CCCC3)CCN(c3ncc(Br)s3)CC2)c1

HCID66657791

[3-[2-[1-(5-Bromothiazole-2-yl)-4-pyrrolidine-1-ylpiperidine-4-yl]ethoxy]-5-chlorophenyl]acetic acid methyl ester

C23H29BrClN3O3S

PRODUCTS

产物

反应SMILES：O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCC3)CCN(c3ncc(Br)s3)CC2)c1

HCID66657808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-aa8c6949279b4254bdbf3dee70998727
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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