HRID143018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID145793

1,2,3,10,11,11a-Hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

C12H14N2O

结构：O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1

HCID10543502

4-[(2-phenylbenzoyl)amino]benzoic Acid

C20H15NO3

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(=O)N2CC3CCCN3C(=O)c3ccccc32)cc1)c1ccccc1-c1ccccc1

HCID21999920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08cd430c5a694ddcaf470eb77ddbf747
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

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