Dichloromethane → (+/-)-1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-indol-2-ylmethyl)-6-oxo-piperazine-2-carboxylic acid methyl ester

HRID 682891Notes

Reaction equation

HRID 682891 reaction equation
[C:1]([O:2][C:3](=[O:4])[n:8]1[c:9]([CH2:18][N:19]2[CH2:20][CH:21]([C:38](=[O:39])[O:40][CH3:41])[N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]4[c:31]([NH2:37])[n:32][cH:33][n:34][c:35]4[cH:36]3)[C:23](=[O:25])[CH2:24]2)[cH:10][c:11]2[cH:12][c:13]([Cl:17])[cH:14][cH:15][c:16]12)([CH3:5])([CH3:6])[CH3:7].[Cl:49][CH2:50][Cl:51].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[nH:8]1[c:9]([CH2:18][N:19]2[CH2:20][CH:21]([C:38](=[O:39])[O:40][CH3:41])[N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]4[c:31]([NH2:37])[n:32][cH:33][n:34][c:35]4[cH:36]3)[C:23](=[O:25])[CH2:24]2)[cH:10][c:11]2[cH:12][c:13]([Cl:17])[cH:14][cH:15][c:16]12

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 53785442(+/-)-2-[4-(4-Amino-quinazolin-7-ylmethyl)-3-methoxycarbonyl-5-oxo-piperazin-1-ylmethyl]-5-chloro-indole-1-carboxylic acid tert-butyl ester

Product 1

HCID 67108957(+/-)-1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-indol-2-ylmethyl)-6-oxo-piperazine-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-d27e05b3998f49be90fa44593a9d04cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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