Benzoic Acid → HCID 70199272, compound

HRID 96109Notes

Reaction equation

HRID 96109 reaction equation
[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl:59][CH2:60][Cl:61].[O:35]=[C:36]1[N:37]([P:38]([Cl:39])([N:40]2[CH2:41][CH2:42][O:43][C:44]2=[O:45])=[O:46])[CH2:47][CH2:48][O:49]1.[OH:50][C:51](=[O:52])[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:1]1([CH3:25])[c:2]([CH:7]2[CH2:8][CH2:9][N:10]([CH2:13][CH:14]3[CH2:15][NH:16][CH2:17][CH:18]3[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:11][CH2:12]2)[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH3:25])[c:2]([CH:7]2[CH2:8][CH2:9][N:10]([CH2:13][CH:14]3[CH2:15][N:16]([C:51](=[O:50])[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[CH2:17][CH:18]3[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:11][CH2:12]2)[cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 152842Bis(2-oxo-3-oxazolidinyl)phosphinic chlorideHCID 702004833-(SR)-(4-(2-tolyl)-piperidin-1-ylmethyl)-4-(SR)-phenylpyrrolidine

Product 1

HCID 70199272HCID 70199272, compound

Sources & evidence

ORD record
ord-819626e90c0141a1b67a059c81ab16b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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