HRID85963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID21706378

未命名化合物

PRODUCTS

生成物

结构：O=C(OC1CC2CN(c3ncc(F)cn3)CCN2C1)c1ccccc1

HCID9819412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3303ca0ea648441a9326e2de46b33566
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

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