HRID945540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID14594132

Thietan-3-amine

C3H7NS

结构：Cc1cc(C2=NCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)O

HCID58270996

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2=NCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NC1CSC1

HCID58270978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b57fbed62ac342a59db7595afbc15676
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

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