HRID154214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID276

Carbamic acid, ion(1-)

CH2NO2-

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID3838134

3-(Boc-amino)-1-propanol

C8H17NO3

反应SMILES：COc1cccc(O)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

HCID136337812

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cccc(OCCCNC(=O)OC(C)(C)C)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

HCID67232993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ccfe1a35c1b24cb8aeebea4b4028572b
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

[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48]([NH:49][CH2:50][CH2:51][CH2:52][OH:53])=[O:54].[CH2:73]1[O:74][CH2:75][CH2:76][CH2:77]1.[NH2:69][C:70](=[O:71])[O-:72].[O:55]=[C:56]([O:57][CH:58]([CH3:59])[CH3:60])[N:61]=[N:62][C:63]([O:64][CH:65]([CH3:66])[CH3:67])=[O:68].[OH:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]([NH:15][c:16]3[n:17][cH:18][c:19]([C:22]#[N:23])[n:20][cH:21]3)[n:13][nH:14]2)[c:4]([O:8][CH3:9])[cH:5][cH:6][cH:7]1.[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:2]1([O:53][CH2:52][CH2:51][CH2:50][NH:49][C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:54])[c:3](-[c:10]2[cH:11][c:12]([NH:15][c:16]3[n:17][cH:18][c:19]([C:22]#[N:23])[n:20][cH:21]3)[n:13][nH:14]2)[c:4]([O:8][CH3:9])[cH:5][cH:6][cH:7]1