Dichloromethane → HCID 135698333, compound

HRID 2127540Notes

Reaction equation

HRID 2127540 reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH:35]([C:47](=[O:48])[OH:49])[CH2:36][N:37]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[CH2:38][CH2:39]1.[CH:50]1([N:51]=[C:52]=[N:53][CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[Cl:65][CH2:66][Cl:67].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:24][CH2:25][CH3:26])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:23])[n:16][c:17]3[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:24][CH2:25][CH3:26])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:23])[n:16][c:17]3[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:7]1)[C:47]([CH:35]1[N:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:39][CH2:38][N:37]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[CH2:36]1)=[O:48]

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 112559791,4-Di-Boc-piperazine-2-carboxylic acidHCID 1356049412-(5-Amino-2-ethoxyphenyl)-5-methyl-7-cyclopentyl-3H-imidazo[5,1-f][1,2,4]-triazin-4-one

Product 1

HCID 135698333HCID 135698333, compound

Sources & evidence

ORD record
ord-43c68f9d361d433783b9ef27293ee59d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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