HRID1116378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID244659

2-(Methanesulfonyl)anilinato

C7H9NO2S

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID67481370

未命名化合物

PRODUCTS

生成物

HCID67478992

[1,2,4]Triazolo[1,5-a]pyridin-8-amine, 2-chloro-N-[2-(methylsulfonyl)phenyl]-

C13H11ClN4O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e29b6449578421485425b37b53f7cc8
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

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