HRID1149943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID11105409

1-(pyridin-2-yl)cyclopropanamine

C8H10N2

HCID56592969

3-[(tert-Butoxycarbonyl)amino]oxetane-3-carboxylic acid

C9H15NO5

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC2(c3ccccn3)CC2)COC1

HCID58430978

1,1-Dimethylethyl N-[3-[[[1-(2-pyridinyl)cyclopropyl]amino]carbonyl]-3-oxetanyl]carbamate

C17H23N3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2e31156e75e4dacb64212b7f3a1dc98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([C:13](=[O:14])[OH:15])[CH2:10][O:11][CH2:12]1.[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:62][OH:63].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:64].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:16]1[c:17]([C:22]2([NH2:25])[CH2:23][CH2:24]2)[cH:18][cH:19][cH:20][cH:21]1.[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([C:13](=[O:15])[NH:25][C:22]2([c:17]3[n:16][cH:21][cH:20][cH:19][cH:18]3)[CH2:23][CH2:24]2)[CH2:10][O:11][CH2:12]1