Water → HCID 178464056, compound

HRID 112022Notes

Reaction equation

HRID 112022 reaction equation
[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:48][c:49]1[c:50]2[c:51]([n:52][cH:53][n:54]1)[CH:55]([OH:59])[CH2:56][CH:57]2[CH3:58].[Cl:60][CH2:61][Cl:62].[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][N:14]([C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:21][CH2:22]2)[CH2:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[cH:37][cH:38]1.[OH2:63].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][N:14]([C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([c:49]3[c:50]4[c:51]([n:52][cH:53][n:54]3)[CH:55]([OH:59])[CH2:56][CH:57]4[CH3:58])[CH2:21][CH2:22]2)[CH2:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[cH:37][cH:38]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 67135067tert-butyl 4-(N-(4-chlorobenzyl)-N-(2-(diethylamino)ethyl)carbamoyl)piperazine-1-carboxylateHCID 1301448574-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

Product 1

HCID 178464056HCID 178464056, compound

Sources & evidence

ORD record
ord-620797c2cb5a4c978c7a0b81bf9fcb95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…