HRID152583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID138928

2-Phenyl-4-carboxythiazole

C10H7NO2S

HCID4641409

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

C10H15N6O+

结构：COCCN1CCN(Cc2cnc3sc(-c4ccccc4N)nc3c2)CC1

HCID58551870

未命名化合物

PRODUCTS

生成物

结构：COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4csc(-c5ccccc5)n4)nc3c2)CC1

HCID46235732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-909281710e4a47578e10b381a1d21ffe
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

[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][c:14]3[c:15]([n:16][cH:17]2)[s:18][c:19](-[c:21]2[c:22]([NH2:23])[cH:24][cH:25][cH:26][cH:27]2)[n:20]3)[CH2:9][CH2:10]1.[CH3:75][OH:76].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[OH2:77].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[c:28]1(-[c:34]2[s:35][cH:36][c:37]([C:39](=[O:40])[OH:41])[n:38]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1.[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][c:14]3[c:15]([n:16][cH:17]2)[s:18][c:19](-[c:21]2[c:22]([NH:23][C:39]([c:37]4[cH:36][s:35][c:34](-[c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[n:38]4)=[O:40])[cH:24][cH:25][cH:26][cH:27]2)[n:20]3)[CH2:9][CH2:10]1