HRID122671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID2794814

tert-Butyl {[3-(hydroxymethyl)phenyl]methyl}carbamate

C13H19NO3

HCID4135740

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)c1

HCID22337050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc85bf2a3dfd410681953384d93893c4
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

[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[Cl:13][c:14]1[cH:15][cH:16][c:17]([C:19](=[O:20])[NH:21][c:22]2[c:23]3[c:27]([cH:28][cH:29][cH:30]2)[C:26](=[O:31])[NH:25][C:24]3=[O:32])[s:18]1.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[OH2:74].[OH:33][CH2:34][c:35]1[cH:36][c:37]([CH2:38][NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[Cl:13][c:14]1[cH:15][cH:16][c:17]([C:19](=[O:20])[NH:21][c:22]2[c:23]3[c:27]([cH:28][cH:29][cH:30]2)[C:26](=[O:31])[N:25]([CH2:34][c:35]2[cH:36][c:37]([CH2:38][NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[cH:47][cH:48][cH:49]2)[C:24]3=[O:32])[s:18]1