Water → HCID 72274478, compound

HRID 98093Notes

Reaction equation

HRID 98093 reaction equation
[CH3:37][N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:54][N:55]1[CH2:56][CH2:57][CH2:58][C:59]1=[O:60].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:18]3[CH2:19][CH:20]([O:35][CH3:36])[CH:21]([NH:24][C:25](=[O:26])[c:27]4[nH:28][c:29]([CH3:34])[c:30]([Cl:33])[c:31]4[Cl:32])[CH2:22][CH2:23]3)[s:11][c:12]2[C:13](=[O:14])[O:15][CH2:16][CH3:17])[n:6][cH:7]1.[OH2:53]>>[c:2]1([N:41]2[CH2:40][CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]2)[n:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:18]3[CH2:19][CH:20]([O:35][CH3:36])[CH:21]([NH:24][C:25](=[O:26])[c:27]4[nH:28][c:29]([CH3:34])[c:30]([Cl:33])[c:31]4[Cl:32])[CH2:22][CH2:23]3)[s:11][c:12]2[C:13](=[O:14])[O:15][CH2:16][CH3:17])[n:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 531671-MethylpiperazineHCID 81531DiisopropylethylamineHCID 72274529ethyl 4-(5-chloropyrazin-2-yl)-2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate

Product 1

HCID 72274478HCID 72274478, compound

Sources & evidence

ORD record
ord-34da3530fb414c229c060a83ab62391c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…