HRID308498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(Br)cc1

HCID53397991

未命名化合物

HCID66785922

未命名化合物

PRODUCTS

生成物

结构：COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)C2)nc2c(Cl)cccc21

HCID77191058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13318bfe028b42ff9fec959a4ff9c126
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:22][c:23]1[cH:24][cH:25][c:26]([CH2:29][CH:30]([CH2:31][C:32](=[O:33])[OH:34])[NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:27][cH:28]1.[CH3:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7]([CH2:17][CH2:18][CH2:19][O:20][CH3:21])[c:8]([CH:11]3[CH2:12][NH:13][CH2:14][CH2:15][CH2:16]3)[n:9][c:10]12.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7]([CH2:17][CH2:18][CH2:19][O:20][CH3:21])[c:8]([CH:11]3[CH2:12][N:13]([C:32]([CH2:31][CH:30]([CH2:29][c:26]4[cH:25][cH:24][c:23]([Br:22])[cH:28][cH:27]4)[NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:33])[CH2:14][CH2:15][CH2:16]3)[n:9][c:10]12