HRID152675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID9834255

3H-spiro[isobenzofuran-1,4'-piperidin]-3-one

C12H13NO2

结构：O=C(Nc1cnc(-c2cccc(O)c2)cn1)Oc1ccccc1

HCID22660683

未命名化合物

PRODUCTS

生成物

结构：O=C1OC2(CCN(C(=O)Nc3cnc(-c4cccc(O)c4)cn3)CC2)c2ccccc21

HCID22660746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1593628a4bd4e52a3c337ca2c11d6ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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