HRID937995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID962

Water

H2O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)c1nc2cc(S(=O)(=O)n3cc(C(=O)O)cn3)ccc2n1CC1CCOCC1

HCID57937295

1-[[2-(1,1-Dimethylethyl)-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-benzimidazol-5-yl]sulfonyl]-1H-pyrazole-4-carboxylic acid

C21H26N4O5S

PRODUCTS

生成物

结构：CC(C)(C)c1nc2cc(S(=O)(=O)n3cc(C(=O)NCCO)cn3)ccc2n1CC1CCOCC1

HCID23659911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e17e511444f4fd5a86e7b4d60b8264a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[n:19][c:20]2[c:21]([n:22]1[CH2:23][CH:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1)[cH:30][cH:31][c:32]([S:34](=[O:35])(=[O:36])[n:37]1[n:38][cH:39][c:40]([C:42](=[O:43])[OH:44])[cH:41]1)[cH:33]2.[CH:5]([N:6]([CH2:7][CH3:8])[CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[NH2:1][CH2:2][CH2:3][OH:4].[OH2:69].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[NH:1]([CH2:2][CH2:3][OH:4])[C:42]([c:40]1[cH:39][n:38][n:37]([S:34]([c:32]2[cH:31][cH:30][c:21]3[c:20]([n:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[n:22]3[CH2:23][CH:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[cH:33]2)(=[O:35])=[O:36])[cH:41]1)=[O:43]